SCHEMBL3144550

SCHEMBL3144550

CC1=CCC2=CCN(Cc3ccc([N+](=O)[O-])cc3)CCC2=C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KCNJ1 P48048 1/20 0.45
NPC1 O15118 1/20 0.42
NR2F2 P24468 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 2/20 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
SCHEMBL3159824 0.87 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3148684 0.85 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3149706 0.82 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3161819 0.82 MAPK1 (0.43) ALDH1A1LMNAMAPK1
SCHEMBL3153654 0.79 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3161308 0.77 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8658937 0.70 ALDH1A1 (0.52) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5675358 0.70 KDM4E (0.67) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3144540 0.69 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3157702 0.68 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1

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
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
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed