SCHEMBL6617853

SCHEMBL6617853

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c1)c1cc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SENP5 Q96HI0 2/20 0.40
▸ SENP2 Q9HC62 2/20 0.40
▸ SENP1 Q9P0U3 2/20 0.40
▸ APP P05067 1/20 0.40
▸ TMIGD3 P0DMS9 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL6616205 0.94 HTR3A (0.44) HTR3AMEN1KMT2AUSP2POLB
SCHEMBL6614975 0.93 SENP1 (0.45) HTR3AMEN1KMT2ASENP5SENP2
SCHEMBL6602651 0.89 SENP1 (0.46) HTR3AMEN1KMT2ASENP5SENP2
SCHEMBL6617722 0.88 TMIGD3 (0.43) HTR3AMEN1KMT2APOLBSENP5
SCHEMBL6618948 0.87 TMIGD3 (0.40) HTR3AMEN1KMT2APOLBSENP5
SCHEMBL6621950 0.87 SENP1 (0.43) HTR3AMEN1KMT2ASENP5SENP2
SCHEMBL6613706 0.87 HDAC2 (0.43) HTR3AMEN1KMT2ASENP5SENP2
SCHEMBL6619698 0.86 SENP1 (0.46) HTR3ASENP5SENP2SENP1APP
SCHEMBL6605920 0.86 TMIGD3 (0.44) HTR3AMEN1KMT2APOLBSENP5
SCHEMBL6620064 0.86 SENP1 (0.40) HTR3AMEN1KMT2ASENP5SENP2

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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