SCHEMBL3149701

SCHEMBL3149701

O=[N+]([O-])c1ccc(CN2CCc3ccccc3CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
SIGMAR1 Q99720 4/20 0.63
ALDH1A1 P00352 4/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KCNJ1 P48048 1/20 0.61
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
BACE1 P56817 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CCR2 P41597 1/20 0.55

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
SCHEMBL3158207 0.93 MEN1 (0.59) KDM4ESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL5626457 0.85 ALDH1A1 (0.74) KDM4ESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL3153649 0.85 KDM4E (0.60) KDM4ESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL3159818 0.84 DRD2 (0.57) KDM4ESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL5675358 0.84 KDM4E (0.67) KDM4ESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL3157399 0.84 KDM4E (0.58) KDM4ESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL3144540 0.83 KDM4E (0.55) KDM4ESIGMAR1ALDH1A1LMNAMAPT
SCHEMBL3156886 0.82 KDM4E (0.73) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2206628 0.82 KDM4E (0.73) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7598211 0.81 ABCB1 (0.74) SIGMAR1ALDH1A1MAPTSMN1; SMN2KCNJ1

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