SCHEMBL6617030

SCHEMBL6617030

COc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccco4)ccc3O)cc2C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 9/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ TNKS O95271 1/20 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
SCHEMBL6603518 0.92 MAPT (0.45) MEN1KMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL6618131 0.88 MAPT (0.45) MEN1KMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL6617910 0.87 MEN1 (0.48) MEN1KMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL6616292 0.86 RAB9A (0.44) MEN1KMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL6618429 0.86 ACKR3 (0.44) MEN1KMT2ANPC1KDM4EMAPT
SCHEMBL6622320 0.86 MAPT (0.42) MEN1KMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL6615885 0.85 NPC1 (0.47) MEN1KMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL6619639 0.85 DRD2 (0.43) MEN1KMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL6618868 0.84 RAB9A (0.45) MEN1KMT2ASMN1; SMN2NPC1LMNA
SCHEMBL6618198 0.84 RAB9A (0.41) MEN1KMT2ASMN1; SMN2HSD17B10NPC1

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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