SCHEMBL3156253

SCHEMBL3156253

O=[N+]([O-])c1ccc(CN2CCc3cc(Cl)c(Cl)cc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KCNJ1 P48048 1/20 0.51
ABCB1 P08183 4/20 0.50
ABCC1 P33527 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
DRD4 P21917 1/20 0.47
DRD2 P14416 1/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 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
SCHEMBL3153649 0.93 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3144845 0.88 ABCB1 (0.52) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3143480 0.87 DRD2 (0.53) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3152306 0.87 ACACB (0.55) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3156573 0.85 ABCB1 (0.69) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3158207 0.83 MEN1 (0.59) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3159818 0.81 DRD2 (0.57) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3151684 0.80 DRD4 (0.60) KCNJ1ABCB1ABCC1SIGMAR1ABCG2
SCHEMBL3144489 0.80 DRD4 (0.60) KCNJ1ABCB1ABCC1SIGMAR1ABCG2
SCHEMBL6291722 0.80 GRIN2B (0.55) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1

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