SCHEMBL31344512

SCHEMBL31344512

O=[N+]([O-])c1ccc([S+]([O-])Cc2ccccc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 5/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AGTR1 P30556 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10417424 0.77 MAPT (0.49) POLBSMN1; SMN2PKMMAPTLMNA
SCHEMBL9665765 0.76 MAPT (0.52) POLBSMN1; SMN2PKMMAPTLMNA
SCHEMBL31344513 0.75 GBA1 (0.38) SMN1; SMN2PKMMAPTLMNAKMT2A
SCHEMBL31344516 0.75 GBA1 (0.38) SMN1; SMN2PKMMAPTLMNAKMT2A
SCHEMBL28294004 0.73 MAPT (0.48) POLBSMN1; SMN2PKMMAPTLMNA
SCHEMBL6747115 0.72 POLB (0.57) POLBSMN1; SMN2PKMMAPTLMNA
SCHEMBL29151253 0.71 PKM (0.62) POLBSMN1; SMN2PKMMAPTLMNA
SCHEMBL3793358 0.71 FABP1 (0.39) POLBLMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL19385924 0.71 FABP1 (0.39) POLBLMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL29562227 0.70 GABRA5 (0.57) POLBSMN1; SMN2PKMMAPTLMNA

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-119350233-A Preparation method of aryl sulfonic acid compound 上海麦克林生化科技股份有限公司 2025-01-24 CN disclosed