SCHEMBL3147528

SCHEMBL3147528

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PYCR1 P32322 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
THRB P10828 1/20 0.52
MMP1 P03956 7/20 0.50
MMP2 P08253 7/20 0.50
MMP9 P14780 7/20 0.50
MMP8 P22894 7/20 0.50
MMP13 P45452 7/20 0.50
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
KCNH2 Q12809 1/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49

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 0.83 PYCR1 (0.59) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL5207545 0.82 PYCR1 (0.55) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL3161509 0.82 PYCR1 (0.57) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL3149853 0.82 PYCR1 (0.57) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL3153531 0.78 MEN1 (0.45) MAPTLMNAALDH1A1KMT2A
SCHEMBL13895390 0.78 MEN1 (0.57) LMNAALDH1A1KMT2A
SCHEMBL990297 0.78 ALDH1A1 (0.60) MAPTLMNAALDH1A1KMT2A
SCHEMBL3153696 0.77 PYCR1 (0.52) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL3154646 0.76 PYCR1 (0.66) MAPTALDH1A1KMT2APYCR1TMEM97
SCHEMBL18384375 0.76 SIGMAR1 (0.59) ALDH1A1PYCR1TMEM97SIGMAR1KCNH2

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