SCHEMBL6616341

SCHEMBL6616341

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL6675449 0.98 HPGD (0.43) HPGDTSHRKDM4ECNR1ALDH1A1
SCHEMBL6623993 0.95 HPGD (0.41) HPGDTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL6677796 0.93 MAPK14 (0.37) HPGDTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL6617191 0.92 SMN1; SMN2 (0.41) HPGDKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL6618080 0.91 GAA (0.37) HPGDTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL6615813 0.90 MEN1 (0.40) HPGDKDM4ECNR1ALDH1A1SMN1; SMN2
SCHEMBL6616445 0.90 SMN1; SMN2 (0.41) HPGDKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL6617100 0.90 NPC1 (0.40) ALDH1A1POLBMEN1KMT2AMAPK1
SCHEMBL6617462 0.90 CNR1 (0.39) HPGDTSHRKDM4ECNR1ALDH1A1
SCHEMBL6619687 0.89 GAA (0.38) HPGDTSHRKDM4EALDH1A1SMN1; SMN2

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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