SCHEMBL16206263

SCHEMBL16206263

Oc1cc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 7/20 0.55
▸ TNKS O95271 6/20 0.55
▸ PARP1 P09874 5/20 0.55
▸ PARP2 Q9UGN5 4/20 0.55
▸ WNT3A P56704 4/20 0.55
▸ PARP14 Q460N5 1/20 0.55
▸ PARP4 Q9UKK3 1/20 0.55
▸ AXIN2 Q9Y2T1 1/20 0.55
▸ PARP3 Q9Y6F1 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ TOP1 P11387 2/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL15315468 0.78 TNKS2 (0.56) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL29411302 0.78 TNKS2 (0.56) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL7783488 0.71 TNKS2 (1.00) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL20286634 0.68 TNKS2 (0.46) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL9171950 0.67 TNKS (0.46) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL21097251 0.66 TNKS2 (0.68) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL15565864 0.63 TNKS2 (0.67) TNKS2TNKSPARP1PARP2WNT3A
SCHEMBL22321661 0.62 KIF11 (0.50) ADORA3IDO1TDO2TOP1KIF11
SCHEMBL1841140 0.61 RAD51 (0.54) ADORA3TOP1KIF11CTSSCTSK
SCHEMBL22321627 0.60 KIF11 (0.47) ADORA3KIF11SNCAKDM4ENPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014176606-A1 CORTICAL INTERNEURONS AND OTHER NEURONAL CELLS PRODUCED BY THE DIRECTED DIFFERENTIATION OF PLURIPOTENT AND MULTIPOTENT CELLS MEMORIAL SLOAN-KETTERING CENTER CENTER (US) 2014-10-30 — — WO disclosed
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