SCHEMBL26087397

SCHEMBL26087397

O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)S(O)(O)C=C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK8 P45983 1/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
ROCK1 Q13464 1/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL26089410 0.94 RAB9A (0.52) GAAMAPTCYP1A2CYP2C19MAPK8
SCHEMBL30346013 0.89 MAPT (0.52) GAAMAPTPOLBCYP1A2CYP2D6
SCHEMBL26087395 0.89 MAPT (0.52) GAAMAPTPOLBCYP1A2CYP2D6
SCHEMBL26090725 0.89 POLB (0.43) GAAMAPTPOLBCYP1A2CYP2D6
SCHEMBL26089403 0.83 RAB9A (0.52) GAAMAPTCYP1A2CYP2C19MAPK8
SCHEMBL26091326 0.82 MEN1 (0.53) MAPTPOLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL26090807 0.80 ALDH1A1 (0.52) GAAMAPTPOLBRAB9ANPC1
SCHEMBL26087980 0.80 KCNQ2 (0.43) GAAMAPTPOLBMAPK8RAB9A
SCHEMBL26087452 0.79 SMN1; SMN2 (0.52) GAAMAPTRAB9ASMN1; SMN2TP53
SCHEMBL26088016 0.79 GAA (0.58) GAAMAPTSMN1; SMN2KMT2ACA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023068852-A1 BENZOTHIOPHENE-1,1-DIOXIDE DERIVATIVE COMPOUND AS STAT3 INHIBITOR, AND USE THEREOF 주식회사 프롬바이오 2023-04-27 WO claimed
WO-2023068852-A1 BENZOTHIOPHENE-1,1-DIOXIDE DERIVATIVE COMPOUND AS STAT3 INHIBITOR, AND USE THEREOF 주식회사 프롬바이오 2023-04-27 WO disclosed