SCHEMBL3148017

SCHEMBL3148017

O=[N+]([O-])c1ccc(CN(CCO)Cc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
LMNA P02545 2/20 0.76
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
HTT P42858 1/20 0.54
TSHR P16473 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
PTPRF P10586 1/20 0.46
PTPN2 P17706 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
SCHEMBL19491671 0.91 ALDH1A1 (0.65) ALDH1A1LMNACRHBPCRHR2TSHR
SCHEMBL4935242 0.90 ALDH1A1 (0.61) ALDH1A1LMNACRHBPCRHR2TSHR
SCHEMBL16699713 0.87 CRHBP (0.65) ALDH1A1LMNACRHBPCRHR2HTT
SCHEMBL3161760 0.87 CRHBP (0.65) ALDH1A1LMNACRHBPCRHR2HTT
SCHEMBL3157345 0.86 ALDH1A1 (0.57) ALDH1A1LMNACRHBPCRHR2TSHR
Hydrochloric Acid SCHEMBL16700727 0.85 CRHBP (0.63) ALDH1A1LMNACRHBPCRHR2HTT
SCHEMBL17029337 0.85 ALDH1A1 (0.57) ALDH1A1LMNACRHBPCRHR2TSHR
SCHEMBL3259129 0.84 CRHBP (0.59) ALDH1A1LMNACRHBPCRHR2CYP1A2
SCHEMBL16796535 0.84 ALDH1A1 (0.60) ALDH1A1LMNACRHBPCRHR2CYP1A2
SCHEMBL28373072 0.84 ALDH1A1 (0.60) ALDH1A1LMNACRHBPCRHR2CYP1A2

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 12 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
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 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
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 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
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed