SCHEMBL7280930

SCHEMBL7280930

N#Cc1ccc(-c2ccc(N)cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.54
TRPV4 Q9HBA0 1/20 0.50
CYP11B1 P15538 6/20 0.48
CASP1 P29466 1/20 0.46
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
IDO1 P14902 1/20 0.41
ESR2 Q92731 2/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL171717 0.84 TRPV4 (0.57) CYP11B2TRPV4CASP1ALDH1A1CYP3A4
SCHEMBL29726491 0.84 TRPV4 (0.57) CYP11B2TRPV4CASP1ALDH1A1CYP3A4
SCHEMBL21084000 0.82 CYP11B2 (0.56) CYP11B2TRPV4CYP11B1ALDH1A1TDP1
SCHEMBL25546432 0.82 ALDH1A1 (0.50) CYP11B2CYP11B1ALDH1A1CYP3A4TP53
SCHEMBL25299104 0.81 CYP11B2 (0.63) CYP11B2TRPV4CYP11B1CASP1ALDH1A1
SCHEMBL30510168 0.81 CYP11B2 (0.63) CYP11B2TRPV4CYP11B1CASP1ALDH1A1
SCHEMBL5326424 0.81 CYP11B2 (0.54) CYP11B2TRPV4CYP11B1CASP1EGLN2
SCHEMBL748530 0.80 CYP11B2 (0.68) CYP11B2CYP11B1CASP1
SCHEMBL7282150 0.77 CYP11B2 (0.66) CYP11B2TRPV4CYP11B1EGLN2
SCHEMBL18666733 0.77 CYP11B2 (0.50) CYP11B2TRPV4CYP11B1CASP1EGLN2

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