SCHEMBL3149853

SCHEMBL3149853

CN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.57
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
KCNH2 Q12809 1/20 0.51
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
TMEM97 Q5BJF2 2/20 0.49
THRB P10828 1/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL3152617 0.86 PYCR1 (0.59) PYCR1CRHBPCRHR2KCNH2LMNA
SCHEMBL3161509 0.84 PYCR1 (0.57) PYCR1CRHBPCRHR2KCNH2LMNA
SCHEMBL3153696 0.82 PYCR1 (0.52) PYCR1CRHBPCRHR2KCNH2LMNA
SCHEMBL3147528 0.82 MAPT (0.56) PYCR1CRHBPCRHR2KCNH2LMNA
SCHEMBL5207545 0.82 PYCR1 (0.55) PYCR1CRHBPCRHR2KCNH2LMNA
SCHEMBL3154611 0.80 TMEM97 (0.55) PYCR1CRHBPCRHR2LMNAALDH1A1
SCHEMBL3804808 0.80 SIGMAR1 (0.58) PYCR1CRHBPCRHR2MAPTALDH1A1
SCHEMBL3156885 0.79 TMEM97 (0.54) PYCR1CRHBPCRHR2LMNAMAPT
SCHEMBL3154646 0.78 PYCR1 (0.66) PYCR1CRHBPCRHR2KCNH2MAPT
SCHEMBL3156368 0.78 KCNH2 (0.61) PYCR1CRHBPCRHR2KCNH2LMNA

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