SCHEMBL7424337

SCHEMBL7424337

O=S(=O)(O)c1ccc(-c2ccc[n+]([O-])c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NT5E P21589 1/20 0.41
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP14 P50281 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL9625997 0.82 TSHR (0.52) TSHRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9716225 0.79 MEN1 (0.48) MEN1KMT2ALMNAL3MBTL1IRAK4
SCHEMBL15849846 0.78 TSHR (0.71) TSHRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21993467 0.78 TSHR (0.71) TSHRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30029777 0.78 TSHR (0.71) TSHRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL34718 0.78 TSHR (0.71) TSHRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1585710 0.78 L3MBTL1 (0.50) MEN1KMT2ALMNAALDH1A1CA12
SCHEMBL3171676 0.77 LMNA (0.65) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL29990536 0.77 LMNA (0.65) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL447639 0.77 LMNA (0.65) TSHRSMN1; SMN2LMNAALDH1A1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed