SCHEMBL3152306

SCHEMBL3152306

O=[N+]([O-])c1ccc(CN2CCc3cc(Cl)ccc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.55
DRD2 P14416 1/20 0.53
KDM4E B2RXH2 2/20 0.50
DRD4 P21917 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNJ1 P48048 1/20 0.49
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
POLB P06746 1/20 0.46
ABCB1 P08183 2/20 0.46
ABCC1 P33527 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
SCHEMBL3143480 0.95 DRD2 (0.53) ACACBDRD2KDM4EDRD4MAPT
SCHEMBL3159818 0.92 DRD2 (0.57) DRD2KDM4EDRD4MAPTALDH1A1
SCHEMBL3156253 0.87 KDM4E (0.52) DRD2KDM4EDRD4MAPTALDH1A1
SCHEMBL3158207 0.84 MEN1 (0.59) DRD2KDM4EMAPTALDH1A1LMNA
SCHEMBL6296037 0.83 DRD4 (0.54) DRD4MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3144845 0.83 ABCB1 (0.52) KDM4EDRD4MAPTALDH1A1LMNA
SCHEMBL3151684 0.83 DRD4 (0.60) ACACBDRD4KCNJ1SIGMAR1ABCB1
SCHEMBL3153649 0.82 KDM4E (0.60) DRD2KDM4EDRD4MAPTALDH1A1
SCHEMBL20776918 0.81 LMNA (0.46) DRD2KDM4EDRD4MAPTALDH1A1
SCHEMBL29438615 0.80 DRD2 (0.45) ACACBDRD2KDM4EDRD4MAPT

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