SCHEMBL3148684

SCHEMBL3148684

COC1=CCC2=CCN(Cc3ccc([N+](=O)[O-])cc3)CCC2=C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
KCNJ1 P48048 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.42
HTT P42858 2/20 0.41
DRD4 P21917 1/20 0.41
NPC1 O15118 1/20 0.40
NR2F2 P24468 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39

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
SCHEMBL3144550 0.85 KDM4E (0.46) KDM4ESMN1; SMN2KCNJ1ALDH1A1MAPT
SCHEMBL3159824 0.84 KDM4E (0.47) KDM4ESMN1; SMN2KCNJ1ALDH1A1MAPT
SCHEMBL3148041 0.83 MEN1 (0.43) KDM4ESMN1; SMN2ALDH1A1LMNADRD4
SCHEMBL3161308 0.81 KDM4E (0.42) KDM4ESMN1; SMN2KCNJ1ALDH1A1MAPT
SCHEMBL3149706 0.80 KDM4E (0.50) KDM4ESMN1; SMN2KCNJ1ALDH1A1MAPT
SCHEMBL3153654 0.76 KDM4E (0.46) KDM4ESMN1; SMN2KCNJ1ALDH1A1MAPT
SCHEMBL3161300 0.69 ALDH1A1 (0.61) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
Methane SCHEMBL20459317 0.68 KDM4E (0.60) KDM4ESMN1; SMN2KCNJ1ALDH1A1MAPT
SCHEMBL18177869 0.68 KDM4E (0.66) KDM4ESMN1; SMN2KCNJ1ALDH1A1MAPT
SCHEMBL8658937 0.68 ALDH1A1 (0.52) KDM4ESMN1; SMN2KCNJ1ALDH1A1MAPT

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