SCHEMBL2330600

SCHEMBL2330600

COc1ccc2ccc(S(=O)(=O)C(F)(F)F)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLAU P00749 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
RAPGEF3 O95398 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLAT P00750 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PTGS2 P35354 1/20 0.44
PTPRZ1 P23471 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL7197925 0.84 ALDH1A1 (0.59) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL20656774 0.82 ALDH1A1 (0.57) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL14345059 0.81 PKM (0.59) KMT2ALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1179389 0.80 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1LMNAHTT
SCHEMBL23520947 0.79 LMNA (0.57) L3MBTL1LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL2326396 0.78 CYP2A6 (0.50) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL3101086 0.78 LMNA (0.61) MEN1KMT2AL3MBTL1LMNAHTT
SCHEMBL28740645 0.78 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1LMNAHTT
SCHEMBL27495132 0.78 MEN1 (0.54) MEN1KMT2AL3MBTL1LMNAHTT
SCHEMBL1770609 0.78 MEN1 (0.54) MEN1KMT2AL3MBTL1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
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
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US 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