SCHEMBL3724318

SCHEMBL3724318

Cc1onc(-c2ccccc2Cl)c1C=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 1/20 0.52
GPBAR1 Q8TDU6 8/20 0.51
LMNA P02545 2/20 0.51
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
MAPT P10636 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
EPAS1 Q99814 1/20 0.48
CYP3A4 P08684 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8315811 0.83 TSHR (0.57) PTGS2KMT2AGPBAR1LMNAMAPT
SCHEMBL27927956 0.81 ESR1 (0.48) PTGS1PTGS2HSD17B10KMT2ALMNA
SCHEMBL27936743 0.81 PTGS1 (0.50) PTGS1PTGS2HSD17B10KMT2AGPBAR1
SCHEMBL12694208 0.79 LMNA (0.40) PTGS1PTGS2HSD17B10KMT2AGPBAR1
SCHEMBL27927967 0.79 PLK1 (0.39) PTGS1PTGS2HSD17B10KMT2AGPBAR1
SCHEMBL470207 0.79 GPBAR1 (0.48) HSD17B10GPBAR1LMNAMAPTALDH1A1
SCHEMBL10394013 0.78 PTGS1 (0.66) PTGS1PTGS2HSD17B10GPBAR1LMNA
SCHEMBL10083918 0.78 PTGS1 (0.66) PTGS1PTGS2HSD17B10GPBAR1LMNA
SCHEMBL27311110 0.78 PTGS1 (0.54) PTGS1PTGS2HSD17B10KMT2AGPBAR1
SCHEMBL21752793 0.78 GPBAR1 (0.49) KMT2AGPBAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426520-A CEPHALOSPORIN ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1984-01-17 US claimed
US-4322347-A 2-Carbamoyloxymethyl-penicillin derivatives BRISTOL-MYERS COMPANY (US) 1982-03-30 US claimed
CN-103209977-A Novel piperazine analogs with substituted heteroaryl groups as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-17 CN disclosed
CN-103201268-A Novel piperazine analogs as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed
WO-2011020849-A1 CYTOHESIN INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2011-02-24 WO disclosed
EP-2286808-A1 Cytohesin inhibitors Rheinische Friedrich-Wilhelms Universität (DE) 2011-02-23 EP disclosed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-4051126-A HALOGENATION, ALKOXYLATION YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-09-27 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US disclosed
US-3984403-A PAINLESS INTRAMUSCULAR INJECTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed