SCHEMBL19901229

SCHEMBL19901229

COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NFKBIA P25963 1/20 0.49
RELA Q04206 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL29023892 0.83 KDM4E (0.65) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15353018 0.82 KMT2A (0.65) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3925744 0.82 LMNA (0.78) LMNAKMT2ASMN1; SMN2CA12CA2
SCHEMBL6302286 0.82 LMNA (0.55) LMNAMEN1KMT2ASMN1; SMN2CA12
SCHEMBL2178212 0.78 KMT2A (0.65) LMNAMEN1KMT2ACA12CA2
SCHEMBL2407197 0.76 L3MBTL1 (0.66) LMNAMEN1KMT2ASMN1; SMN2CA12
SCHEMBL2177411 0.75 NPC1 (0.56) LMNAMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL28007728 0.73 KDM4E (0.68) LMNAMEN1KMT2ASMN1; SMN2CA12
SCHEMBL2179378 0.73 ALDH1A1 (0.61) LMNAMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL2177227 0.73 KMT2A (0.55) LMNAMEN1KMT2ASMN1; SMN2CA12

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-9902713-B2 Neuroprotective compounds and use thereof BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-27 US disclosed