SCHEMBL7274142

SCHEMBL7274142

COC(=O)CCc1ccc(-n2cc(-c3ccc(C#N)cc3)[nH]c2=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.48
TP53 P04637 2/20 0.48
ALOX12 P18054 1/20 0.48
GFER P55789 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
GAA P10253 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL7281123 1.00 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7283880 0.89 CYP11B1 (0.44) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7281781 0.89 CYP11B1 (0.44) MAPTKMT2AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL8575464 0.82 KMT2A (0.53) MAPTKMT2AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL8604167 0.82 KMT2A (0.53) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7283023 0.81 CYP11B1 (0.45) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7275399 0.81 CYP11B1 (0.45) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL3628694 0.78 CYP11B1 (0.56) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7275057 0.78 CYP11B1 (0.46) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7274155 0.78 CYP11B1 (0.46) MAPTKMT2AMEN1ALDH1A1POLB

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