SCHEMBL6617523

SCHEMBL6617523

Cc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)C4CC4)cc3O)cc2C2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GNRHR P30968 1/20 0.41
▸ ELANE P08246 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL6618519 0.91 ALDH1A1 (0.42) NPSR1NPC1RAB9AKMT2AMAPT
SCHEMBL6618768 0.91 MEN1 (0.46) NPSR1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6621361 0.90 JAK2 (0.43) ELANESMN1; SMN2F2KMT2AMEN1
SCHEMBL6673259 0.89 NAMPT (0.41) RAB9AKMT2AMAPTALDH1A1MEN1
SCHEMBL6617610 0.88 KMT2A (0.40) KMT2AMAPTTSHRMEN1
SCHEMBL6617082 0.88 TERT (0.36) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL6616388 0.88 NAMPT (0.37) NPSR1GNRHRMAPTHSD17B10
SCHEMBL6615563 0.86 TERT (0.36) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL6617884 0.86 ACKR3 (0.42) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL6618278 0.86 MEN1 (0.45) SMN1; SMN2RAB9AKMT2AMAPTHSD17B10

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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