SCHEMBL6618192

SCHEMBL6618192

Cc1cccc(CNC(=O)n2nc(-c3cc(NC(=O)C(C)C)ccc3O)cc2C2CCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ASAH1 Q13510 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTH1R Q03431 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGES O14684 2/20 0.35
▸ KCNB1 Q14721 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL6616388 0.94 NAMPT (0.37) NAMPTACKR3DRD2LMNAASAH1
SCHEMBL6617613 0.92 NAMPT (0.38) NAMPTDRD2LMNAASAH1HTT
SCHEMBL6618430 0.92 ALDH1A1 (0.38) ACKR3DRD2LMNAHTTNPSR1
SCHEMBL6619748 0.91 ALDH1A1 (0.38) DRD2LMNAMEN1NPC1RAB9A
SCHEMBL6617955 0.91 KMT2A (0.37) LMNAASAH1ROCK2MEN1NPC1
SCHEMBL6619302 0.89 MAPK14 (0.36) DRD2LMNAASAH1ROCK2MEN1
SCHEMBL6616878 0.89 KMT2A (0.38) LMNAASAH1ROCK2MEN1NPC1
SCHEMBL6602660 0.88 TERT (0.36) DRD2LMNAASAH1ROCK2MEN1
SCHEMBL6616321 0.88 CHRNE (0.38) NAMPTDRD2LMNAHTTNPSR1
SCHEMBL6616130 0.88 ASAH1 (0.38) ASAH1NPSR1ROCK2MEN1NPC1

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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