SCHEMBL3149267

SCHEMBL3149267

CN(C(=O)CCN1CCCCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
HRH3 Q9Y5N1 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
AR P10275 5/20 0.49
LMNA P02545 1/20 0.46
OPRK1 P41145 1/20 0.46
LTA4H P09960 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HTR1A P08908 1/20 0.44

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
SCHEMBL28411789 0.90 ALDH1A1 (0.52) SIGMAR1KDM4EALDH1A1ARLMNA
SCHEMBL3143293 0.87 LMNA (0.54) SIGMAR1HRH3KDM4EALDH1A1TDP1
SCHEMBL3157089 0.85 LMNA (0.56) SIGMAR1HRH3KDM4EALDH1A1TDP1
SCHEMBL3152747 0.82 ALDH1A1 (0.58) SIGMAR1ALDH1A1ARLMNAHTR1A
SCHEMBL3158281 0.81 SIGMAR1 (0.46) SIGMAR1ALDH1A1LMNAOPRK1
SCHEMBL14174854 0.81 KMT2A (0.52) HRH3ALDH1A1LMNA
Water SCHEMBL11239433 0.80 ALDH1A1 (0.42) HRH3ALDH1A1LMNA
Water SCHEMBL11239429 0.80 ALDH1A1 (0.42) HRH3ALDH1A1LMNA
SCHEMBL3573746 0.79 SIGMAR1 (0.64) SIGMAR1HRH3KDM4EALDH1A1TDP1
SCHEMBL1361808 0.78 ALDH1A1 (0.50) SIGMAR1ALDH1A1LMNA

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 5 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