SCHEMBL6616434

SCHEMBL6616434

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1cc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 3/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ APP P05067 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ SENP5 Q96HI0 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.37
▸ SENP1 Q9P0U3 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ IMPDH2 P12268 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ STAT1 P42224 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ MEN1 O00255 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
SCHEMBL6614579 0.98 TMIGD3 (0.39) TMIGD3ADORA1ADORA2AAPPOPRM1
SCHEMBL6621958 0.90 HDAC2 (0.44) TMIGD3ADORA1ADORA2AAPPOPRM1
SCHEMBL6619698 0.89 SENP1 (0.46) TMIGD3ADORA1ADORA2AAPPOPRM1
SCHEMBL6602256 0.86 RAB9A (0.41) TMIGD3ADORA1ADORA2AAPPOPRM1
SCHEMBL6616786 0.86 TMIGD3 (0.41) TMIGD3ADORA1ADORA2AAPPOPRM1
SCHEMBL6616793 0.85 SENP1 (0.41) TMIGD3ADORA1ADORA2AAPPOPRM1
SCHEMBL6620034 0.85 TMIGD3 (0.38) TMIGD3ADORA1ADORA2AAPPOPRM1
SCHEMBL6616205 0.85 HTR3A (0.44) TMIGD3ADORA1ADORA2AAPPOPRM1
SCHEMBL6618546 0.85 CLK1 (0.42) TMIGD3ADORA1ADORA2AOPRM1SENP5
SCHEMBL6615258 0.85 CNR1 (0.41) —

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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