SCHEMBL9713771

SCHEMBL9713771

Cc1cc(NC2CCCC2)ccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
POLB P06746 3/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
RIPK1 Q13546 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL9713607 0.99 MAPT (0.59) MAPTPOLBLMNAGAASMN1; SMN2
SCHEMBL9713815 0.84 CNR1 (0.41) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL9713891 0.83 CNR2 (0.43) LMNAGAASMN1; SMN2ALDH1A1EPHX1
SCHEMBL9713800 0.81 ALDH1A1 (0.56) MAPTPOLBALDH1A1EPHX2KMT2A
SCHEMBL9713847 0.80 KMT2A (0.50) POLBLMNASMN1; SMN2ALDH1A1EPHX2
SCHEMBL9713970 0.78 MAPT (0.59) MAPTPOLBGAAALDH1A1EPHX2
SCHEMBL3477664 0.77 MAPT (1.00) MAPTPOLBLMNAGAASMN1; SMN2
SCHEMBL3477702 0.76 MAPT (0.96) MAPTPOLBLMNAGAASMN1; SMN2
SCHEMBL16755954 0.76 MAPT (0.96) MAPTPOLBLMNAGAASMN1; SMN2
SCHEMBL9713773 0.76 KMT2A (0.56) MAPTPOLBGAAALDH1A1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084449-A Bactericides and antiprotozoa agents DR. KARL THOMAE GMBH (DE) 1992-01-28 US disclosed
US-4992430-A Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase DR. KARL THOMAE GMBH (DE) 1991-02-12 US disclosed
US-4829058-A INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA DR. KARL THOMAE GMBH (DE) 1989-05-09 US disclosed
EP-0165422-A1 Substituted bis-(4-aminophenyl)-sulphones, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1985-12-27 EP disclosed