SCHEMBL3157345

SCHEMBL3157345

O=[N+]([O-])c1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CRHBP P24387 2/20 0.56
▸ CRHR2 Q13324 2/20 0.56
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ KCNH2 Q12809 4/20 0.52
▸ PKM P14618 1/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL17539702 0.91 CYP1A2 (0.62) ALDH1A1LMNACRHBPCRHR2CYP1A2
SCHEMBL19491671 0.90 ALDH1A1 (0.65) ALDH1A1LMNACRHBPCRHR2CYP1A2
SCHEMBL16699713 0.88 CRHBP (0.65) ALDH1A1LMNACRHBPCRHR2CYP1A2
SCHEMBL3161760 0.88 CRHBP (0.65) ALDH1A1LMNACRHBPCRHR2CYP1A2
Hydrochloric Acid SCHEMBL16700727 0.86 CRHBP (0.63) ALDH1A1LMNACRHBPCRHR2CYP1A2
SCHEMBL3148017 0.86 ALDH1A1 (0.76) ALDH1A1LMNACRHBPCRHR2CYP1A2
SCHEMBL3259129 0.86 CRHBP (0.59) ALDH1A1LMNACRHBPCRHR2CYP1A2
SCHEMBL3149347 0.84 ALDH1A1 (0.63) ALDH1A1CRHBPCRHR2KCNH2PKM
SCHEMBL7596877 0.84 ALDH1A1 (0.63) ALDH1A1CRHBPCRHR2KCNH2PKM
SCHEMBL19212464 0.84 CA12 (0.47) 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 11 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
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
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