SCHEMBL30876802

SCHEMBL30876802

Nc1ccc(SCc2ccccc2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
IDO1 P14902 3/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 3/20 0.42
CA4 P22748 2/20 0.42
DAO P14920 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41

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
SCHEMBL8781008 1.00 POLB (0.55) POLBSMN1; SMN2RAB9ANPC1IDO1
SCHEMBL9006468 0.82 ALOX5 (0.50) POLBNPC1IDO1CYP1A2CYP3A4
SCHEMBL10263771 0.82 POLB (0.69) POLBSMN1; SMN2RAB9ANPC1IDO1
SCHEMBL29715410 0.79 POLB (0.55) POLBSMN1; SMN2RAB9ANPC1IDO1
SCHEMBL29715308 0.79 POLB (0.55) POLBSMN1; SMN2RAB9ANPC1CYP3A4
SCHEMBL23092860 0.79 POLB (0.55) POLBSMN1; SMN2RAB9ANPC1IDO1
SCHEMBL29715299 0.79 POLB (0.55) POLBSMN1; SMN2RAB9ANPC1IDO1
SCHEMBL23092362 0.79 POLB (0.55) POLBSMN1; SMN2RAB9ANPC1IDO1
SCHEMBL23092549 0.79 POLB (0.55) POLBSMN1; SMN2RAB9ANPC1CYP3A4
SCHEMBL11419059 0.79 POLB (0.69) POLBSMN1; SMN2RAB9ANPC1IDO1

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
CN-117836270-A USP30 inhibitors and uses thereof 文森雷生物科学股份有限公司 2024-04-05 CN disclosed