SCHEMBL3149706

SCHEMBL3149706

O=[N+]([O-])c1ccc(CN2CC=C3CC=CC=C3CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KCNJ1 P48048 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.41
MAOA P21397 1/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 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
SCHEMBL3144550 0.82 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1KCNJ1LMNA
SCHEMBL3155929 0.81 MAPK1 (0.44) ALDH1A1LMNAMAPK1
SCHEMBL3159824 0.81 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1KCNJ1LMNA
SCHEMBL3148684 0.80 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1KCNJ1LMNA
SCHEMBL3153654 0.75 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1KCNJ1LMNA
SCHEMBL3157403 0.75 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1KCNJ1LMNA
SCHEMBL3161308 0.73 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1KCNJ1LMNA
SCHEMBL10266693 0.71 HSD17B10 (0.45) ALDH1A1LMNAMAPTMAPK1NPC1
SCHEMBL7232102 0.71 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1KCNJ1LMNA
SCHEMBL7227791 0.71 MAOA (0.74) KDM4ESMN1; SMN2ALDH1A1KCNJ1LMNA

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