SCHEMBL76351

SCHEMBL76351

Cc1cc(N)ccc1N1CCCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
THRB P10828 3/20 0.58
GAA P10253 3/20 0.58
NR4A1 P22736 1/20 0.58
PTK2B Q14289 1/20 0.58
HSD17B10 Q99714 2/20 0.54
AKR1C3 P42330 1/20 0.50
MAPK1 P28482 1/20 0.48
BRD9 Q9H8M2 1/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALOX15 P16050 2/20 0.46
RAD52 P43351 2/20 0.44
GFER P55789 2/20 0.44
AVPR2 P30518 1/20 0.44
ATAD2 Q6PL18 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5425961 0.98 KMT2A (0.57) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL3866085 0.95 HSD17B10 (0.59) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL30168124 0.95 HSD17B10 (0.59) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL8305499 0.85 HSD17B10 (0.51) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL17979899 0.82 HSD17B10 (0.59) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL3866106 0.82 ALDH1A1 (0.60) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL76589 0.81 ALDH1A1 (0.45) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL22816934 0.81 ALDH1A1 (0.60) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL3750305 0.80 MAPT (0.46) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL5389284 0.80 NR4A1 (0.49) KMT2AMAPTALDH1A1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
WO-2004002477-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GMBH (DE) 2004-01-08 WO disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
WO-2003093254-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-11-13 WO disclosed
WO-2003084533-A1 N-`4-(2-IMINO-PYRROLIDIN-1-YL)PHENYL!-ACETAMIDE AND CORRESPONDING PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-10-16 WO disclosed
WO-2003084533-A1 N-`4-(2-IMINO-PYRROLIDIN-1-YL)PHENYL!-ACETAMIDE AND CORRESPONDING PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-10-16 WO disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 WO disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 WO disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO disclosed