SCHEMBL3146418

SCHEMBL3146418

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.49
MMP14 P50281 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.43
ATM Q13315 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 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
SCHEMBL3922661 0.86 MAPT (0.54) POLBHTTMAPTMMP14ALDH1A1
SCHEMBL3155889 0.84 ALDH1A1 (0.49) POLBHTTMAPTMMP14ALDH1A1
SCHEMBL3151841 0.84 POLB (0.46) POLBHTTMAPTMMP14ALDH1A1
SCHEMBL3156251 0.82 POLB (0.45) POLBHTTMAPTMMP14ALDH1A1
SCHEMBL1706262 0.82 MAPT (0.53) MAPTMMP14ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3144317 0.81 TMEM97 (0.59) ALDH1A1SMN1; SMN2MAPK1TDP1SIGMAR1
SCHEMBL3152935 0.81 GSK3B (0.53) MAPTMMP14ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1232308 0.81 MAPT (0.49) POLBHTTMAPTMMP14ALDH1A1
SCHEMBL28799029 0.81 ALDH1A1 (0.49) POLBHTTMAPTMMP14ALDH1A1
SCHEMBL27758777 0.81 MAPT (0.56) MAPTMMP14ALDH1A1SMN1; SMN2CRHBP

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 4 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