SCHEMBL3153649

SCHEMBL3153649

O=[N+]([O-])c1ccc(CN2CCc3cc(Cl)c(Cl)cc3CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
KCNJ1 P48048 1/20 0.58
DRD4 P21917 1/20 0.52
DRD2 P14416 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
NPC1 O15118 1/20 0.50
NR2F2 P24468 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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 0.93 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3159818 0.87 DRD2 (0.57) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3149701 0.85 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3161300 0.83 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3144540 0.83 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3152306 0.82 ACACB (0.55) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5675358 0.81 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3144845 0.81 ABCB1 (0.52) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3148683 0.80 HDAC1 (0.61) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3143480 0.80 DRD2 (0.53) KDM4EALDH1A1SMN1; SMN2LMNAMAPT

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