SCHEMBL6616559

SCHEMBL6616559

Cc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3O)cc2C2CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 8/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL6618762 0.97 MAPT (0.49) MAPTRECQLTP53RAB9ANPC1
SCHEMBL6617814 0.93 MAPT (0.48) MAPTRECQLTP53RAB9ANPC1
SCHEMBL6620827 0.89 MAPT (0.49) MAPTTP53RAB9ANPC1MEN1
SCHEMBL6673259 0.88 NAMPT (0.41) MAPTRAB9AMEN1KMT2AROCK2
SCHEMBL6612836 0.88 MAPT (0.46) MAPTRAB9ANPC1MEN1CYP3A4
SCHEMBL6618846 0.88 NPC1 (0.50) MAPTTP53RAB9ANPC1MEN1
SCHEMBL6619547 0.88 CASP3 (0.48) MAPTTP53RAB9ANPC1MEN1
SCHEMBL6613581 0.87 NPC1 (0.47) MAPTTP53RAB9ANPC1MEN1
SCHEMBL6618471 0.87 RAB9A (0.51) MAPTRECQLTP53RAB9ANPC1
SCHEMBL6618155 0.85 RAB9A (0.45) MAPTTP53RAB9ANPC1MEN1

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 disclosed
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 disclosed
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