SCHEMBL7422938

SCHEMBL7422938

O=S(=O)(O)c1ccc(-c2ccnc(O)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
CA12 O43570 7/20 0.37
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA9 Q16790 7/20 0.37
PFKFB3 Q16875 3/20 0.34
MAPT P10636 2/20 0.33
SNCA P37840 1/20 0.33
GCK P35557 1/20 0.33
GCKR Q14397 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7425364 0.78 HDAC3 (0.49) HSD17B1HSD17B2CA12CA1CA2
Hydrochloric Acid SCHEMBL27503318 0.77 HDAC3 (0.47) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL2633939 0.72 POLB (0.52) CA1CA2PFKFB3MAPTALDH1A1
SCHEMBL3055723 0.72 KDM4E (0.60) PFKFB3MAPTRXFP1ALDH1A1POLB
SCHEMBL7421349 0.72 KDM4E (0.47) CA12CA1CA2CA9PFKFB3
SCHEMBL9198944 0.71 L3MBTL1 (0.34) CA12CA1CA2CA9PFKFB3
SCHEMBL5727547 0.71 HSD17B1 (0.51) HSD17B1HSD17B2MAPTSNCA
SCHEMBL5727190 0.71 ADAMTS5 (0.51) HSD17B1HSD17B2POLB
SCHEMBL7425945 0.71 MKNK1 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL3046411 0.71 RAB9A (0.47) HSD17B1HSD17B2CA12CA1CA2

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-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed