SCHEMBL6604001

SCHEMBL6604001

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NC3CC3)n2)c1)c1cc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 3/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ APP P05067 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CHRNA7 P36544 4/20 0.39
▸ HTR3A P46098 3/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ OPRM1 P35372 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
SCHEMBL6617435 0.87 TMIGD3 (0.47) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6614975 0.86 SENP1 (0.45) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6605920 0.85 TMIGD3 (0.44) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6618948 0.85 TMIGD3 (0.40) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6617853 0.85 HTR3A (0.43) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6617892 0.85 TMIGD3 (0.45) TMIGD3ADORA1ADORA2AAPPCHRNA7
SCHEMBL6617722 0.84 TMIGD3 (0.43) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6602651 0.84 SENP1 (0.46) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6603859 0.83 TMIGD3 (0.43) TMIGD3ADORA1ADORA2AAPPMEN1
SCHEMBL6613706 0.83 HDAC2 (0.43) 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 disclosed
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 disclosed
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