SCHEMBL7280294

SCHEMBL7280294

COC(=O)CCc1ccc(-n2ccn(-c3cccc(CC#N)c3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PTK2 Q05397 3/20 0.38
NOS2 P35228 1/20 0.37
PLA2G4A P47712 1/20 0.37
PTPN1 P18031 4/20 0.37
MAPT P10636 4/20 0.37
PIK3CG P48736 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
RPS6KA3 P51812 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MMP3 P08254 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7281223 0.81 CYP11B1 (0.51) FFAR1MAPTLMNARPS6KA3ALDH1A1
SCHEMBL8575966 0.78 CYP11B1 (0.40) FFAR1PTK2NOS2PLA2G4APTPN1
SCHEMBL8560440 0.72 CCNC (0.43) PTPN1RPS6KA3
Hydrochloric Acid SCHEMBL7275608 0.72 ITGB3 (0.48)
SCHEMBL7282163 0.71 PTPN1 (0.37) PTPN1LMNARPS6KA3ALDH1A1TDP1
SCHEMBL7384638 0.71 HRH3 (0.39) FFAR1NOS2PTPN1RPS6KA3
SCHEMBL7385562 0.67 HRH3 (0.41) PTPN1RPS6KA3ALDH1A1
SCHEMBL7274756 0.67 MAPT (0.43) MAPTALDH1A1TDP1
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.67 TDP1 (0.66) FFAR1MAPTLMNAALDH1A1TDP1
SCHEMBL22922181 0.67 CYP4F2 (0.59) MAPTLMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed