SCHEMBL3144845

SCHEMBL3144845

Cc1cc2c(cc1C)CN(Cc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.52
ABCC1 P33527 2/20 0.52
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KCNJ1 P48048 1/20 0.50
ABCG2 Q9UNQ0 4/20 0.49
KMT2A Q03164 1/20 0.48
DRD4 P21917 1/20 0.47
NPC1 O15118 1/20 0.46
NR2F2 P24468 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3156253 0.88 KDM4E (0.52) ABCB1ABCC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3156573 0.86 ABCB1 (0.69) ABCB1ABCC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3152306 0.83 ACACB (0.55) ABCB1ABCC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3143480 0.83 DRD2 (0.53) ABCB1ABCC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3158207 0.82 MEN1 (0.59) ABCB1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3144489 0.82 DRD4 (0.60) ABCB1ABCC1KCNJ1ABCG2KMT2A
SCHEMBL3151684 0.82 DRD4 (0.60) ABCB1ABCC1KCNJ1ABCG2KMT2A
SCHEMBL3144540 0.82 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3153649 0.81 KDM4E (0.60) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3143064 0.79 KMT2A (0.53) ABCB1ABCC1KDM4EALDH1A1LMNA

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