SCHEMBL3148140

SCHEMBL3148140

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 4/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
MMP14 P50281 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
GSTO1 P78417 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
SCHEMBL7421005 0.81 MAPT (0.50) ALDH1A1GAAMAPK1L3MBTL1KDM4E
SCHEMBL2104354 0.81 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KDM4EMAPT
SCHEMBL3815637 0.80 ALDH1A1 (0.50) ALDH1A1GAAMAPK1L3MBTL1KDM4E
SCHEMBL27570006 0.78 MAPT (0.39) ALDH1A1L3MBTL1KDM4EMAPTNPSR1
SCHEMBL3144557 0.78 MAPT (0.50) ALDH1A1GAAMAPK1L3MBTL1KDM4E
SCHEMBL4496895 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1MAPTCYP1A2
Phenylacetylglycine Dimethylamide SCHEMBL6056919 0.77 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP3A4TSHRNPC1
SCHEMBL3161184 0.77 ALDH1A1 (0.53) ALDH1A1GAAMAPK1KDM4EMAPT
SCHEMBL24900427 0.76 ALDH1A1 (0.59) ALDH1A1GAAMAPK1L3MBTL1KDM4E
SCHEMBL2103568 0.75 MAPK1 (0.55) ALDH1A1GAAMAPK1L3MBTL1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622986-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS Elima Therapeutics, Inc. (US) 2025-10-01 EP disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
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