SCHEMBL7512913

SCHEMBL7512913

O=C(CCCCN1CC[N]CC1)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP2C19 P33261 1/20 0.57
PKM P14618 1/20 0.57
CACNA1G O43497 2/20 0.55
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54

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
SCHEMBL7515165 0.99 LMNA (0.58) LMNAALDH1A1POLBKMT2ACYP2C19
SCHEMBL7511608 0.99 LMNA (0.58) LMNAALDH1A1POLBKMT2ACYP2C19
SCHEMBL7510477 0.96 LMNA (0.61) LMNAALDH1A1POLBKMT2ACYP2C19
SCHEMBL7508522 0.90 LMNA (0.73) LMNAALDH1A1POLBKMT2ACYP2C19
SCHEMBL8227510 0.81 ALDH1A1 (0.83) LMNAALDH1A1POLBKMT2ACYP2C19
SCHEMBL7511057 0.81 ALDH1A1 (0.68) LMNAALDH1A1POLBKMT2ASMN1; SMN2
Water SCHEMBL7291985 0.80 ALDH1A1 (0.81) LMNAALDH1A1POLBKMT2ACYP2C19
SCHEMBL517309 0.78 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.77 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1065393 0.77 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823413-B1 Intermediates for the preparation of benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2002-02-13 EP disclosed
US-5811576-A 1-CARBOXY-2-LOWERALKYL-3,4,6-TRI(HALO)BENZENES; GRAMPOSITIVE AND-NEGATIVE BACTERIA; INFECTIONS; STERILIZATION OF MEDICAL EQUIPMENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-09-22 US disclosed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed