SCHEMBL10118579

SCHEMBL10118579

NC(=S)S/C(C=O)=C\c1ccc(-c2ccccn2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ ALOX5 P09917 1/20 0.40
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ AHR P35869 1/20 0.34
▸ PSMB8 P28062 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FAAH O00519 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL624039 0.73 PIK3CA (0.55) PIK3CAPIK3CGALOX5CYP1A2AHR
SCHEMBL13766486 0.66 MAPT (0.44) CYP1A2TDP1L3MBTL1NPC1RAB9A
SCHEMBL3076222 0.66 KDM4E (0.62) PIK3CAPIK3CGALOX5CYP1A2PSMB8
SCHEMBL27568458 0.65 ALOX5 (0.55) ALOX5CYP1A2FAAHGRM5KDM4E
SCHEMBL622482 0.63 PIK3CG (0.80) PIK3CAPIK3CGL3MBTL1MEN1LMNA
SCHEMBL27623948 0.61 ALOX5 (0.50) ALOX5CYP1A2FAAHKDM4ELMNA
SCHEMBL15128952 0.60 KDM4E (0.48) PIK3CAPIK3CGALOX5CYP1A1CYP1A2
SCHEMBL3589894 0.60 ALDH1A1 (0.54) ALOX5TDP1NPC1RAB9AFAAH
SCHEMBL3055621 0.59 ALOX5 (0.48) ALOX5CYP1A2FAAHKDM4ELMNA
Dipyridyl SCHEMBL27994607 0.59 KDM4E (0.70) CYP1A2TDP1L3MBTL1NPC1RAB9A

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-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 — — WO disclosed
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