SCHEMBL3143902

SCHEMBL3143902

COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.65
CDC25C P30307 2/20 0.56
PYCR1 P32322 1/20 0.54
CYP19A1 P11511 1/20 0.54
PTGS2 P35354 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
KCNH2 Q12809 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
TTR P02766 1/20 0.51
BCHE P06276 1/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 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
SCHEMBL3153190 0.89 CDC25C (0.67) ACHECDC25CSMN1; SMN2MEN1KMT2A
SCHEMBL7232380 0.87 CDC25C (0.58) ACHECDC25CPYCR1PTGS2MEN1
SCHEMBL8789055 0.87 ACHE (0.58) ACHECDC25CSMN1; SMN2MEN1KMT2A
SCHEMBL3157646 0.86 CYP1A2 (0.59) ACHECYP19A1PTGS2SMN1; SMN2MEN1
SCHEMBL8836082 0.86 ACHE (0.52) ACHECDC25CCYP19A1PTGS2SMN1; SMN2
SCHEMBL8836079 0.86 ACHE (0.52) ACHECDC25CCYP19A1PTGS2SMN1; SMN2
SCHEMBL8790222 0.84 PTGS2 (0.60) ACHECDC25CCYP19A1PTGS2SMN1; SMN2
SCHEMBL8790218 0.84 PTGS2 (0.60) ACHECDC25CCYP19A1PTGS2SMN1; SMN2
SCHEMBL8791287 0.84 KCNH2 (0.70) ACHECDC25CSMN1; SMN2MEN1KMT2A
SCHEMBL8806978 0.83 CRHBP (0.59) ACHECDC25CCYP19A1PTGS2SMN1; SMN2

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 10 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
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP 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
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed