SCHEMBL1361808

SCHEMBL1361808

CN1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 3/20 0.48
SIRT6 Q8N6T7 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
DRD4 P21917 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.45
KCNJ1 P48048 2/20 0.44
KCNH2 Q12809 2/20 0.44
LMNA P02545 2/20 0.44
CHEK1 O14757 1/20 0.44
PRKAB2 O43741 1/20 0.44
NUAK1 O60285 1/20 0.44
MAPK1 P28482 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
MELK Q14680 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
SCHEMBL17147663 0.91 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ASIRT6SIGMAR1
SCHEMBL17147662 0.91 DRD4 (0.44) ALDH1A1HPGDKMT2ASIGMAR1DRD4
SCHEMBL3157089 0.89 LMNA (0.56) ALDH1A1KMT2ASIGMAR1DRD4MEN1
SCHEMBL28411789 0.88 ALDH1A1 (0.52) ALDH1A1HPGDKMT2ASIRT6SIGMAR1
SCHEMBL13808932 0.88 DRD4 (0.47) ALDH1A1DRD4HTTLMNACHEK1
SCHEMBL3143293 0.88 LMNA (0.54) ALDH1A1KMT2ASIGMAR1MEN1LMNA
SCHEMBL3151719 0.86 KMT2A (0.59) ALDH1A1KMT2AMEN1KCNJ1LMNA
SCHEMBL3157355 0.84 DRD4 (0.65) ALDH1A1SIGMAR1DRD4LMNAMAPK1
SCHEMBL7346358 0.84 ALDH1A1 (0.62) ALDH1A1HPGDKMT2ASIRT6MEN1
SCHEMBL27959322 0.83 CHRM2 (0.47) ALDH1A1HPGDKMT2ASIRT6SIGMAR1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181078-B Synthesis method of Nidamib key intermediate 安徽修一制药有限公司 2024-07-19 CN claimed
CN-115181078-A Synthesis method of nintedanib key intermediate 安徽修一制药有限公司 2022-10-14 CN claimed
EP-4622986-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS Elima Therapeutics, Inc. (US) 2025-10-01 EP disclosed
CN-115181078-B Synthesis method of Nidamib key intermediate 安徽修一制药有限公司 2024-07-19 CN disclosed
CN-115181078-B Synthesis method of Nidamib key intermediate 安徽修一制药有限公司 2024-07-19 CN disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
CN-115181078-A Synthesis method of nintedanib key intermediate 安徽修一制药有限公司 2022-10-14 CN disclosed
CN-115181078-A Synthesis method of nintedanib key intermediate 安徽修一制药有限公司 2022-10-14 CN disclosed
CN-113354599-B Preparation method of nintedanib key intermediate 长沙康鹏医药有限公司 2021-10-26 CN disclosed
CN-113354599-A Preparation method of nintedanib key intermediate 长沙康鹏医药有限公司 2021-09-07 CN disclosed
EP-2229360-B1 INDOLINONE DERIVATIVES AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INT (DE) 2020-07-01 EP disclosed
CN-101883755-A Indolinone derivatives and process for their manufacture BOEHRINGER INGELHEIM INT 2010-11-10 CN disclosed
CN-101883756-A Process for preparing indolinone derivatives BOEHRINGER INGELHEIM INT 2010-11-10 CN disclosed
EP-2229359-A1 PROCESS FOR THE MANUFACTURE OF AN INDOLINONE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2010-09-22 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
WO-2009071523-A1 PROCESS FOR THE MANUFACTURE OF AN INDOLINONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 WO 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