SCHEMBL21723958

SCHEMBL21723958

CS(=O)(=O)OCCc1cccc(C(=O)O)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
HMGB1 P09429 1/20 0.41
FOLH1 Q04609 2/20 0.37
ALOX15 P16050 1/20 0.36
MMP2 P08253 1/20 0.36
CLCN2 P51788 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
ADORA1 P30542 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL22557350 0.84 MRGPRX4 (0.43) HMGB1FOLH1ALOX15CLCN2LMNA
SCHEMBL9875978 0.82 G6PD (0.51) G6PDCASP7CASP6HMGB1FOLH1
Hydrochloric Acid SCHEMBL28495555 0.81 G6PD (0.50) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL10430943 0.79 G6PD (0.49) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL17433852 0.77 CLCN2 (0.50) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL23043906 0.77 ALDH1A1 (0.39) HMGB1FOLH1ALOX15LMNACA1
SCHEMBL5135887 0.77 G6PD (0.56) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL7770609 0.75 G6PD (0.44) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL808482 0.74 G6PD (0.57) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL30762619 0.74 G6PD (0.57) G6PDCASP7CASP6HMGB1FOLH1

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-2020036445-A1 TRANSGENIC ANIMAL AND TRANSGENIC EMBRYO PRODUCING ARTIFICIAL NUCLEASE 주식회사 라트바이오 2020-02-20 WO disclosed