SCHEMBL8657373

SCHEMBL8657373

O=S(=O)(Nc1ccccc1-c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
MCOLN3 Q8TDD5 3/20 0.63
CA12 O43570 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
GAA P10253 3/20 0.58
MAPT P10636 2/20 0.58
UQCRB P14927 2/20 0.58
HTT P42858 2/20 0.58
RECQL P46063 2/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NOD2 Q9HC29 1/20 0.57

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
SCHEMBL5410713 0.88 MCOLN3 (0.78) LMNAMCOLN3CA12CA2CA9
SCHEMBL8660179 0.84 MCOLN3 (0.60) LMNAMCOLN3CA12CA2CA9
SCHEMBL8657271 0.84 STAT3 (0.72) LMNAMCOLN3CA12CA2CA9
SCHEMBL8661273 0.84 MCOLN3 (0.63) LMNAMCOLN3CA12CA2CA9
SCHEMBL8661304 0.84 MCOLN3 (0.63) LMNAMCOLN3CA12CA2CA9
SCHEMBL8659813 0.84 LMNA (0.88) LMNAMCOLN3CA12CA2CA9
SCHEMBL5943966 0.81 MCOLN3 (0.56) LMNAMCOLN3CA12CA2CA9
SCHEMBL14601529 0.81 TUBB4A (0.63) LMNAGAAMAPTUQCRBHTT
SCHEMBL8662980 0.80 STAT3 (0.80) LMNAMCOLN3CA12CA2CA9
SCHEMBL8660468 0.80 MCOLN3 (0.62) LMNAMCOLN3CA12CA2CA9

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
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed