SCHEMBL6617374

SCHEMBL6617374

CC(C)CC(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccccc3Cl)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ AADAT Q8N5Z0 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6616528 0.97 TP53 (0.38) TP53RXFP1KDM4ETSHRSMN1; SMN2
SCHEMBL6618283 0.95 CNR1 (0.41) TP53RXFP1KDM4ETSHRSMN1; SMN2
SCHEMBL6621748 0.92 CNR1 (0.40) TP53RXFP1KDM4ETSHRSMN1; SMN2
SCHEMBL6620062 0.92 CNR1 (0.40) TP53RXFP1KDM4ETSHRSMN1; SMN2
SCHEMBL6618271 0.89 MAPT (0.41) TP53KDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL6614631 0.89 SMN1; SMN2 (0.41) TP53RXFP1KDM4ETSHRSMN1; SMN2
SCHEMBL6617183 0.88 ALDH1A1 (0.40) TP53KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL6603399 0.87 ALDH1A1 (0.45) TP53SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6616965 0.87 HRH3 (0.40) TP53RXFP1KDM4ETSHRSMN1; SMN2
SCHEMBL6617644 0.86 ACKR3 (0.40) TP53SMN1; SMN2ALDH1A1GAACNR1

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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