SCHEMBL6573723

SCHEMBL6573723

O=C(CCc1ccncc1)CCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
LMNA P02545 1/20 0.50
NPY5R Q15761 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HRH1 P35367 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7425058 0.89 FFAR1 (0.47) FFAR1LOXL2LMNANPY5RTDP1
SCHEMBL7178176 0.87 IAPP (0.53) FFAR1LOXL2LMNANPY5RTDP1
SCHEMBL6571641 0.86 HRH1 (0.50) FFAR1LOXL2LMNATDP1HDAC2
SCHEMBL27581983 0.86 MMP12 (0.61) FFAR1LMNANPY5RTDP1HDAC2
SCHEMBL333186 0.84 FFAR1 (0.70) FFAR1LMNANPY5RTDP1
SCHEMBL3937604 0.82 FFAR1 (0.46) FFAR1LOXL2LMNANPY5RTDP1
SCHEMBL1677975 0.82 ALDH1A1 (0.63) FFAR1LOXL2LMNANPY5RTDP1
SCHEMBL660683 0.82 LOXL2 (0.52) FFAR1LOXL2LMNANPY5RTDP1
SCHEMBL4662980 0.82 FFAR1 (0.49) FFAR1LOXL2LMNANPY5RTDP1
Hydrochloric Acid SCHEMBL8937697 0.82 FFAR1 (0.68) FFAR1LMNANPY5RTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316946-B A kind of α of Ciprofloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-12-11 CN disclosed
CN-106316948-B A kind of α of N- methyl Ciprofloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-12-11 CN disclosed
CN-106316945-B A kind of α of pefloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-12-11 CN disclosed
CN-106316947-B A kind of α of Norfloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-11-09 CN disclosed
CN-106317014-B A kind of α of Lomefloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-11-09 CN disclosed
CN-106279019-B A kind of α of Enrofloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-11-09 CN disclosed
CN-106316944-B A kind of α of fleraxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-11-09 CN disclosed
CN-106317083-B A kind of α of Rufloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-08-31 CN disclosed
CN-106317074-B A kind of α of Ofloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application HENAN UNIVERSITY (CN) 2018-08-31 CN disclosed
CN-106317073-B A kind of α of lavo-ofloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application HENAN UNIVERSITY (CN) 2018-08-31 CN disclosed
CN-102216299-A 2, 5-diamino-substituted pyrido [4, 3-d] pyrimidines as autotaxin inhibitors against cancer MERCK PATENT GMBH 2011-10-12 CN disclosed
CN-101765602-A Derivatives of 6-cycloamino-3- (pyridin-4-yl) imidazo [1,2-b ] pyridazine, preparation thereof and therapeutic use thereof SANOFI AVENTIS 2010-06-30 CN disclosed
EP-1420009-A2 Novel amino acid derivatives with improved multi-drug resistance activity Vertex Pharmaceuticals Incorporated (US) 2004-05-19 EP disclosed
EP-0797567-B1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2004-02-11 EP disclosed
US-6284778-B1 NEUROTROPHIC AGENT VERTEX PHARMACEUTICALS INCORPORATED 2001-09-04 US disclosed
US-6172086-B1 TREATING PARKINSON*S DISEASE, ALZHIEMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS AND OTHER NERVOUS SYSTEM DISORDERS VERTEX PHARMACEUTICALS INCORPORATED 2001-01-09 US disclosed
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US disclosed
EP-0797567-A1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY Vertex Pharmaceuticals Incorporated (US) 1997-10-01 EP disclosed
US-5543423-A USED IN MULTI-DRUG RESISTANCE CANCER THERAPY VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-08-06 US disclosed
WO-1996015101-A1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1996-05-23 WO disclosed