SCHEMBL23239462

SCHEMBL23239462

C=COC(C)Cc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 3/20 0.37
TAAR1 Q96RJ0 1/20 0.36
KMT2A Q03164 2/20 0.36
CTSC P53634 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL25306777 0.80 CYP2C19 (0.50) CYP2C19RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL22733844 0.77 CYP2C19 (0.47) CYP2C19RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL160009 0.76 CYP2C19 (0.50) CYP2C19RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL160010 0.76 CYP2C19 (0.50) CYP2C19RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL8555164 0.74 CYP2C19 (0.48) CYP2C19RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL18856429 0.74 CYP2C19 (0.52) CYP2C19RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL95274 0.74
SCHEMBL91135 0.73
SCHEMBL8800679 0.72 CYP2C19 (0.43) CYP2C19RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL2918968 0.72 SIGMAR1 (0.48) TAAR1KMT2AMEN1

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-20210108065-A1 POLYMERS AND PHOTORESIST COMPOSITIONS DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC 2021-04-15 US disclosed