SCHEMBL13286192

SCHEMBL13286192

CN/C=C/c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
VCAM1 P19320 3/20 0.44
ALDH1A1 P00352 6/20 0.41
PARG Q86W56 2/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
ALDH3A1 P30838 2/20 0.38

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
SCHEMBL771758 0.84 KMT2A (0.43) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL771759 0.84 KMT2A (0.43) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL773215 0.76 ALDH1A1 (0.57) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL1625381 0.75 VCAM1 (0.70) LMNAVCAM1ALDH1A1THRB
SCHEMBL23092820 0.72 ATM (0.49) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL29715252 0.68 CA2 (0.65) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL18739981 0.68 CA2 (0.65) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL3046201 0.68 CA2 (0.65) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL31647148 0.68 ALDH1A1 (0.47) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL17749307 0.67 WNK1 (0.66) MAPTMEN1KMT2ALMNASMN1; SMN2

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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed