SCHEMBL6618948

SCHEMBL6618948

C=CCNC(=O)n1nc(-c2cc(NC(=O)c3cc4ccccc4s3)ccc2O)cc1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ APP P05067 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ OPRM1 P35372 2/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ SENP5 Q96HI0 1/20 0.35

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
SCHEMBL6603859 0.97 TMIGD3 (0.43) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6616786 0.94 TMIGD3 (0.41) TMIGD3ADORA1ADORA2AAPPMCHR1
SCHEMBL6614975 0.89 SENP1 (0.45) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6617853 0.87 HTR3A (0.43) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6605920 0.87 TMIGD3 (0.44) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6620034 0.86 TMIGD3 (0.38) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6613706 0.86 HDAC2 (0.43) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6617722 0.85 TMIGD3 (0.43) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6602651 0.85 SENP1 (0.46) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6604001 0.85 TMIGD3 (0.42) TMIGD3ADORA1ADORA2AAPPMEN1

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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