SCHEMBL3156928

SCHEMBL3156928

CCC(CCc1ccc([N+](=O)[O-])cc1)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CHRM2 P08172 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
KCNH2 Q12809 2/20 0.42
KCNJ1 P48048 1/20 0.42
IDO1 P14902 2/20 0.41
MAPT P10636 1/20 0.41
LOXL2 Q9Y4K0 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
SCHEMBL7231697 0.85 LMNA (0.49) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL11410509 0.84 LMNA (0.51) TSHRCHRM2PTPRFPTPN2PTPN1
SCHEMBL4884480 0.80 PTPRF (0.46) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL4889311 0.80 PTPRF (0.46) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL4884496 0.80 PTPRF (0.46) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL1333231 0.79 TSHR (0.46) TSHRMEN1KMT2AIDO1MAPT
SCHEMBL3158301 0.79 ALDH1A1 (0.49) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL6238634 0.78 ALDH1A1 (0.51) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL4849291 0.76 MAPT (0.52) MEN1KMT2AKCNH2KCNJ1MAPT
SCHEMBL3148626 0.76 CHRM2 (0.53) TSHRCHRM2PTPRFPTPN2PTPN1

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