SCHEMBL6617819

SCHEMBL6617819

CCNC(=O)n1nc(-c2ccc(NC(=O)c3cc4ccccc4s3)cc2O)cc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ IMPDH2 P12268 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ APP P05067 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ CHRNA7 P36544 3/20 0.39
▸ HTR3A P46098 2/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL6605920 0.95 TMIGD3 (0.44) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2
SCHEMBL6602256 0.90 RAB9A (0.41) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2
SCHEMBL6617722 0.89 TMIGD3 (0.43) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2
SCHEMBL6619698 0.87 SENP1 (0.46) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2
SCHEMBL6616786 0.86 TMIGD3 (0.41) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2
SCHEMBL6617892 0.86 TMIGD3 (0.45) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2
SCHEMBL6616205 0.86 HTR3A (0.44) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2
SCHEMBL6605135 0.86 TMIGD3 (0.42) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2
SCHEMBL6602651 0.85 SENP1 (0.46) TMIGD3ADORA1ADORA2APTGDR2APP
SCHEMBL6603859 0.85 TMIGD3 (0.43) TMIGD3ADORA1ADORA2AIMPDH2PTGDR2

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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