SCHEMBL10623391

SCHEMBL10623391

CC(S)COc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.51
PTGS2 P35354 6/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.45
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
PAX8 Q06710 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL12877013 0.87 PTGS1 (0.54) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL6842459 0.78 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL2170896 0.78 PTGS1 (0.57) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL10158221 0.76 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL11218369 0.75 ALOX15 (0.47) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL7352333 0.75 PTGS1 (0.62) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL1632866 0.75 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL9167195 0.74 PTGS1 (0.64) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL14688967 0.74 PTGS1 (0.60) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL10090168 0.74 PTGS1 (0.64) PTGS1PTGS2MEN1KMT2APPARG

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
US-4724072-A 2-MERCAPTOBENZOTHIAZOLE DERIVATIVES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1988-02-09 US claimed