SCHEMBL3144640

SCHEMBL3144640

CCCC(=O)N(CCN(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.49
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
HTT P42858 2/20 0.45
POLB P06746 2/20 0.45
MMP14 P50281 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GSTO1 P78417 1/20 0.44
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL3148186 0.89 ALDH1A1 (0.51) MAPTALDH1A1HTTPOLBMMP14
SCHEMBL3815637 0.82 ALDH1A1 (0.50) MAPTALDH1A1HTTPOLBMMP14
SCHEMBL14174738 0.82 TP53 (0.65) TP53MAPTNPC1RAB9AKMT2A
SCHEMBL3922661 0.81 MAPT (0.54) MAPTALDH1A1BCL9CTNNB1HTT
SCHEMBL5786227 0.81 MAPT (0.51) MAPTALDH1A1HTTPOLBMMP14
SCHEMBL3159564 0.80 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3147820 0.80 TP53 (0.61) TP53ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3161758 0.79 MLYCD (0.56) MAPTALDH1A1HTTPOLBMMP14
SCHEMBL8602833 0.78 ALDH1A1 (0.56) TP53ALDH1A1HTTNPC1RAB9A
SCHEMBL3162595 0.77 ALDH1A1 (0.73) ALDH1A1HTTPOLBNPC1RAB9A

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 7 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
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN 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