SCHEMBL3155392

SCHEMBL3155392

CN(Cc1ccc([N+](=O)[O-])cc1)CC1OCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.54
KCNH2 Q12809 2/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
SIGMAR1 Q99720 3/20 0.43
TMEM97 Q5BJF2 2/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CDC25C P30307 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KCNJ1 P48048 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL3081888 0.81 KDM4E (0.54) PYCR1KCNH2CRHBPCRHR2MEN1
SCHEMBL3182108 0.81 KDM4E (0.54) PYCR1KCNH2CRHBPCRHR2MEN1
SCHEMBL3081891 0.81 KDM4E (0.54) PYCR1KCNH2CRHBPCRHR2MEN1
SCHEMBL3088232 0.81 PYCR1 (0.51) PYCR1KCNH2CRHBPCRHR2SIGMAR1
SCHEMBL8543345 0.77 TSHR (0.50) KCNH2TSHRPOLBKDM4EALDH1A1
SCHEMBL3154646 0.75 PYCR1 (0.66) PYCR1KCNH2CRHBPCRHR2SIGMAR1
Hydrochloric Acid SCHEMBL28581917 0.74 CRHBP (0.62) PYCR1KCNH2CRHBPCRHR2TSHR
SCHEMBL3156368 0.74 KCNH2 (0.61) PYCR1KCNH2CRHBPCRHR2SIGMAR1
SCHEMBL11779808 0.74 KCNH2 (0.54) PYCR1KCNH2CRHBPCRHR2MEN1
SCHEMBL11776717 0.74 KCNH2 (0.54) PYCR1KCNH2CRHBPCRHR2SIGMAR1

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 6 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
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