SCHEMBL6618867

SCHEMBL6618867

Cc1ccccc1CNC(=O)n1nc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2O)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NR1H4 Q96RI1 2/20 0.40
▸ MAPK14 Q16539 3/20 0.39
▸ EPHA3 P29320 1/20 0.39
▸ FRK P42685 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.38
▸ TRPV1 Q8NER1 3/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL6605931 0.91 ACKR3 (0.43) TP53SMN1; SMN2NR1H4MEN1KMT2A
SCHEMBL6615869 0.91 NAMPT (0.41) SMN1; SMN2NR1H4MEN1KMT2AKCNK9
SCHEMBL6617061 0.91 TAOK1 (0.42) TP53THRBMAPK14CRACR2AEPHX2
SCHEMBL6619665 0.90 P2RY14 (0.41) TP53MAPK14EPHX2MAPTPOLB
SCHEMBL6615051 0.89 SCN2A (0.42) SMN1; SMN2MEN1KMT2ATRPV1MAPT
SCHEMBL6616573 0.87 NR1H4 (0.41) NR1H4MAPK14MEN1KMT2ATRPV1
SCHEMBL6617539 0.87 NPC1 (0.46) TP53SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6621456 0.87 MEN1 (0.44) SMN1; SMN2NR1H4MAPK14MEN1KMT2A
SCHEMBL6623315 0.87 KCNK3 (0.43) NR1H4MAPK14EPHA3FRKMEN1
SCHEMBL6618415 0.86 MEN1 (0.44) NR1H4MEN1KMT2AKCNK9TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
Send feedback