SCHEMBL5991599

SCHEMBL5991599

O=C1/C(=C\C=C\c2ccco2)SC(=S)N1Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 0.75
▸ KMT2A Q03164 14/20 0.75
▸ MAPT P10636 13/20 0.75
▸ POLB P06746 13/20 0.75
▸ RECQL P46063 12/20 0.75
▸ ALDH1A1 P00352 7/20 0.75
▸ TDP1 Q9NUW8 6/20 0.75
▸ LMNA P02545 4/20 0.75
▸ ALOX12 P18054 3/20 0.75
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ L3MBTL1 Q9Y468 10/20 0.67
▸ USP2 O75604 7/20 0.67
▸ APEX1 P27695 5/20 0.67
▸ MCL1 Q07820 5/20 0.67
▸ ALPL P05186 4/20 0.67
▸ NSD2 O96028 3/20 0.67
▸ GAA P10253 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ KDM4E B2RXH2 8/20 0.64
▸ BLM P54132 7/20 0.64

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
SCHEMBL8592041 0.87 MAPT (0.66) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL14213566 0.83 MEN1 (0.71) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL6886015 0.82 MAPT (0.88) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL6885414 0.78 MAPT (0.81) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL6885417 0.78 MAPT (0.81) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL26485785 0.78 MAPT (0.65) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL26458902 0.78 MAPT (1.00) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL14680220 0.78 MAPT (1.00) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL18598496 0.75 MAPT (0.83) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL1655144 0.74 MEN1 (0.78) MEN1KMT2AMAPTPOLBRECQL

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-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 — — WO disclosed
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