SCHEMBL6616388

SCHEMBL6616388

Cc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)C(C)C)cc3O)cc2C2CCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ASAH1 Q13510 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ KCNB1 Q14721 1/20 0.36
▸ PTH1R Q03431 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GNRHR P30968 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
SCHEMBL6617613 0.97 NAMPT (0.38) NAMPTDRD2LMNAASAH1HTT
SCHEMBL6618192 0.94 NAMPT (0.36) NAMPTDRD2LMNAASAH1HTT
SCHEMBL6617829 0.92 ALDH1A1 (0.39) DRD2LMNAHTTNPSR1KCNB1
SCHEMBL6618373 0.91 NPC1 (0.39) DRD2LMNAMAPT
SCHEMBL6617610 0.90 KMT2A (0.40) LMNAASAH1ROCK2PTH1RFAAH
SCHEMBL6615563 0.90 TERT (0.36) DRD2LMNAASAH1ROCK2MAPT
SCHEMBL6617082 0.89 TERT (0.36) DRD2LMNAASAH1ROCK2
SCHEMBL6621562 0.88 CNR1 (0.39) NAMPTDRD2LMNAHTTNPSR1
SCHEMBL6617523 0.88 NPSR1 (0.44) NPSR1HSD17B10MAPTGNRHR
SCHEMBL6617955 0.87 KMT2A (0.37) LMNAASAH1ROCK2FAAHMAPT

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
Send feedback