SCHEMBL31318567

SCHEMBL31318567

Cc1ccc2c(c1)SCCN2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
EPHX2 P34913 1/20 0.49
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
RYR2 Q92736 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
PARP10 Q53GL7 2/20 0.33
PARP11 Q9NR21 1/20 0.33

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
SCHEMBL19751453 1.00 GAA (0.55) GAAMEN1KMT2AALDH1A1EPHX2
SCHEMBL10226479 0.86 GAA (0.53) GAAMEN1KMT2AALDH1A1EPHX2
SCHEMBL18087623 0.85 ALDH1A1 (0.49) GAAMEN1KMT2AALDH1A1EPHX2
SCHEMBL8469717 0.79 EPHX2 (0.52) GAAMEN1KMT2AALDH1A1EPHX2
SCHEMBL31552720 0.76 KMT2A (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL22232989 0.76 MEN1 (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL31318538 0.76 MEN1 (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL9032903 0.76 MEN1 (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL5636666 0.76 ALDH1A1 (0.42) GAAMEN1KMT2AALDH1A1EPHX2
SCHEMBL15828678 0.76 ALDH1A1 (0.50) GAAMEN1KMT2AALDH1A1MAPT

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-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed