SCHEMBL6623993

SCHEMBL6623993

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK14 Q16539 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ S1PR3 Q99500 1/20 0.33

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
SCHEMBL6616341 0.95 HPGD (0.43) HPGDKDM4ETSHRMAPK14ALDH1A1
SCHEMBL6675449 0.94 HPGD (0.43) HPGDKDM4ETSHRALDH1A1POLB
SCHEMBL6674746 0.93 MAPK14 (0.38) HPGDKDM4ETSHRMAPK14ALDH1A1
SCHEMBL6620495 0.90 MAPK14 (0.39) HPGDKDM4ETSHRMAPK14ALDH1A1
SCHEMBL6620401 0.89 HRH3 (0.39) KDM4ETSHRMAPK14ALDH1A1MEN1
SCHEMBL6614631 0.89 SMN1; SMN2 (0.41) HPGDKDM4ETSHRMAPK14ALDH1A1
SCHEMBL6677796 0.88 MAPK14 (0.37) HPGDKDM4ETSHRMAPK14ALDH1A1
SCHEMBL6619302 0.88 MAPK14 (0.36) HPGDKDM4EMAPK14ALDH1A1MEN1
SCHEMBL6616453 0.87 KMT2A (0.36) ALDH1A1POLBMEN1KMT2AMAPK1
SCHEMBL6616711 0.87 NPC1 (0.40) TSHRALDH1A1POLBMEN1KMT2A

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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