SCHEMBL6618845

SCHEMBL6618845

CCC(=O)Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccc(C)cc3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ USP2 O75604 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RORC P51449 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
SCHEMBL6616621 0.92 SMN1; SMN2 (0.40) HPGDALDH1A1KDM4EHSD17B10USP2
SCHEMBL6674746 0.91 MAPK14 (0.38) HPGDALDH1A1KDM4EUSP2EPHX2
SCHEMBL6602660 0.91 TERT (0.36) HPGDALDH1A1KDM4EHSD17B10NPC1
SCHEMBL6619787 0.90 MAPK14 (0.41) ALDH1A1USP2NPC1RAB9ASMN1; SMN2
SCHEMBL6614450 0.90 ALDH1A1 (0.41) HPGDALDH1A1KDM4EHSD17B10USP2
SCHEMBL6617446 0.89 CYP3A4 (0.39) HPGDALDH1A1KDM4EUSP2EPHX2
SCHEMBL6614350 0.89 ALDH1A1 (0.41) HPGDALDH1A1KDM4EHSD17B10NPC1
SCHEMBL6615761 0.88 KDM5A (0.39) HPGDALDH1A1KDM4EUSP2EPHX2
SCHEMBL6620495 0.87 MAPK14 (0.39) HPGDALDH1A1KDM4EUSP2NPC1
SCHEMBL6619748 0.87 ALDH1A1 (0.38) HPGDALDH1A1KDM4EUSP2EPHX2

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
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