SCHEMBL6603518

SCHEMBL6603518

Cc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccco4)ccc3O)cc2C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK14 Q16539 1/20 0.42
▸ HSD17B10 Q99714 5/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ GAA P10253 3/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40

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
SCHEMBL6617030 0.92 MEN1 (0.49) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6618131 0.90 MAPT (0.45) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6617910 0.89 MEN1 (0.48) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6616292 0.88 RAB9A (0.44) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6622320 0.88 MAPT (0.42) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6615761 0.87 KDM5A (0.39) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6618868 0.86 RAB9A (0.45) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6619863 0.86 RAB9A (0.43) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6614679 0.86 MAPT (0.42) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6617223 0.85 MAPT (0.40) MAPTALDH1A1KMT2ARAB9AMEN1

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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