SCHEMBL6675449

SCHEMBL6675449

CC(C)CC(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 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
SCHEMBL6616341 0.98 HPGD (0.43) HPGDKDM4ETSHRCNR1POLB
SCHEMBL6623993 0.94 HPGD (0.41) HPGDKDM4ETSHRPOLBRAB9A
SCHEMBL6618080 0.93 GAA (0.37) HPGDKDM4ETSHRPOLBRAB9A
SCHEMBL6616445 0.92 SMN1; SMN2 (0.41) HPGDKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL6617462 0.91 CNR1 (0.39) HPGDKDM4ETSHRCNR1POLB
SCHEMBL6677796 0.91 MAPK14 (0.37) HPGDKDM4ETSHRPOLBRAB9A
SCHEMBL6617191 0.90 SMN1; SMN2 (0.41) HPGDKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL6619687 0.89 GAA (0.38) HPGDKDM4ETSHRPOLBRAB9A
SCHEMBL6617506 0.89 HRH3 (0.41) KDM4ETSHRALDH1A1AAK1RXFP1
SCHEMBL6615813 0.89 MEN1 (0.40) HPGDKDM4ECNR1POLBRAB9A

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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