SCHEMBL3143350

SCHEMBL3143350

CN(C)CCNc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KAT2B Q92831 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
BCL6 P41182 1/20 0.42
BCOR Q6W2J9 1/20 0.42

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
SCHEMBL26640796 0.84 MAPT (0.58) POLBALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL1594797 0.84 ALDH1A1 (0.72) POLBALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL26640672 0.83 ALDH1A1 (0.56) POLBALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL6815730 0.83 ALDH1A1 (0.63) POLBALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL30221510 0.83 ALDH1A1 (0.56) POLBALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL1595477 0.83 ALDH1A1 (0.56) POLBALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL29228986 0.79 HTT (0.51) POLBALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL7778718 0.79 ALDH1A1 (0.57) POLBALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL7448185 0.78 MEN1 (0.61) POLBALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL17678391 0.77 ALDH1A1 (0.71) POLBALDH1A1NPSR1SMN1; SMN2KMT2A

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