SCHEMBL3157403

SCHEMBL3157403

O=[N+]([O-])c1ccc(CN2C=C3CC=CC=C3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
KCNJ1 P48048 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KCNH2 Q12809 2/20 0.38
NPC1 O15118 1/20 0.38
NR2F2 P24468 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
P2RX4 Q99571 1/20 0.36
DBH P09172 1/20 0.36

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
SCHEMBL3160293 0.79 LMNA (0.38) ALDH1A1LMNA
SCHEMBL3149706 0.75 KDM4E (0.50) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10266693 0.72 HSD17B10 (0.45) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL11158040 0.71 KDM4E (0.44) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL28129888 0.70 AR (0.45) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL27374302 0.69 KDM4E (0.48) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12220148 0.69 KDM4E (0.54) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
Bromide SCHEMBL2534729 0.67 KDM4E (0.53) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7232102 0.66 KDM4E (0.63) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL15340821 0.63 KDM4E (0.59) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA

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 8 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
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed