SCHEMBL3157147

SCHEMBL3157147

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 2/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46

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
SCHEMBL3157245 0.84 ALDH1A1 (0.61) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL5624320 0.83 MEN1 (0.50) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL5783334 0.82 POLB (0.54) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL3161184 0.82 ALDH1A1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL4492356 0.80 KMT2A (0.51) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL18358944 0.79 MMP2 (0.59) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL5624112 0.78 ALDH1A1 (0.51) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21932305 0.77 CA9 (0.45) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL24279578 0.76 LMNA (0.54) KMT2AKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL13645034 0.76 ALDH1A1 (0.47) MEN1KMT2ALMNAMAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed