SCHEMBL8891480

SCHEMBL8891480

CC1(c2ccc3nc(-c4ccc(O)cc4)[nH]c3c2)C=NNC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.50
NPBWR1 P48145 1/20 0.48
DGAT1 O75907 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHEK1 O14757 1/20 0.44
PRKD3 O94806 1/20 0.44
PAK4 O96013 1/20 0.44
PDGFRA P16234 1/20 0.44
LTK P29376 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAPK8 P45983 1/20 0.44
CDK8 P49336 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKX P51817 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
CDK5 Q00535 1/20 0.44
PRKCQ Q04759 1/20 0.44
MAP4K2 Q12851 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
Hydrochloric Acid SCHEMBL11303090 0.99 SCD (0.49) SCDNPBWR1DGAT1KCNH2CHEK1
SCHEMBL7352293 0.90 NPC1 (0.49) NPBWR1ALDH1A1SMN1; SMN2CHEK2MMP2
Hydrochloric Acid SCHEMBL11302544 0.89 NPC1 (0.48) NPBWR1ALDH1A1SMN1; SMN2CHEK2MMP2
SCHEMBL7355829 0.89 MEN1 (0.48) NPBWR1ALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL11302741 0.88 NPBWR1 (0.48) SCDNPBWR1DGAT1KCNH2ALDH1A1
SCHEMBL7357077 0.88 ABCB11 (0.52) NPBWR1ALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL11304721 0.87 ABCB11 (0.52) NPBWR1ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7353697 0.84 SCN10A (0.36) SCD
SCHEMBL7356104 0.82 KDM4E (0.48) ALDH1A1SMN1; SMN2CHEK2
Hydrochloric Acid SCHEMBL11300938 0.81 PLG (0.45) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681961-A TREATMENT AND/OR PREVENTION OF THROMBOEMBOLIC DISORDERS, ARTERIOSCLEROSIS, METASTASIS. ISCHEMIA, ASTHMA, ALLERGIES DR. KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0487095-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1996-02-28 EP disclosed
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed
EP-0397044-B1 Arylsulfonamides, medicines containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1995-12-27 EP disclosed
US-5426119-A Thromboxane antagonists DR. KARL THOMAE GMBH (DE) 1995-06-20 US disclosed
EP-0547517-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-05-17 EP disclosed
US-5294626-A Thromboxane synthesis inhibitors and anticoagulants DR. KARL THOMAS GMBH (DE) 1994-03-15 US disclosed
US-5286736-A Thromboxane antagonists and thromboxane synthetase inhibitors DR. KARL THOMAE GMBH (DE) 1994-02-15 US disclosed
EP-0547517-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1993-06-23 EP disclosed
EP-0487095-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-05-27 EP disclosed
EP-0397044-A2 Arylsulfonamides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-11-14 EP disclosed
EP-0306846-A2 Synergistic combination comprising a phosphodiesterase inhibitor and a thromboxane-A2 antagonist, and its use or preparation Dr. Karl Thomae GmbH (DE) 1989-03-15 EP disclosed