SCHEMBL3149238

SCHEMBL3149238

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.40
MMP14 P50281 1/20 0.40
ATM Q13315 1/20 0.40
NOS1 P29475 2/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL3155889 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPTMAPK1
SCHEMBL3151841 0.83 POLB (0.46) ALDH1A1SMN1; SMN2TSHRMAPTMAPK1
SCHEMBL3154611 0.80 TMEM97 (0.55) ALDH1A1SMN1; SMN2CYP1A2CYP3A4L3MBTL1
SCHEMBL3147987 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1CYP1A2
SCHEMBL1706262 0.79 MAPT (0.53) ALDH1A1SMN1; SMN2TSHRMAPTMAPK1
SCHEMBL15659596 0.78 TSHR (0.53) ALDH1A1SMN1; SMN2TSHRMAPTMAPK1
SCHEMBL3161509 0.78 PYCR1 (0.57) ALDH1A1TSHRMAPTTDP1LMNA
SCHEMBL3152935 0.77 GSK3B (0.53) ALDH1A1SMN1; SMN2TSHRMAPTMAPK1
SCHEMBL28799029 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPTMAPK1
SCHEMBL1232308 0.77 MAPT (0.49) ALDH1A1SMN1; SMN2TSHRMAPTMAPK1

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