SCHEMBL4724013

SCHEMBL4724013

COc1ccc(-c2cncnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.59
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
PTGS2 P35354 1/20 0.46
MEN1 O00255 1/20 0.45
EGFR P00533 2/20 0.45

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
SCHEMBL31452806 0.94 NCOA1 (0.68) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL30451554 0.85 KCNH2 (0.63) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL29014967 0.85 KCNH2 (0.63) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL30046414 0.81 DGAT1 (0.61) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL20522402 0.81 DGAT1 (0.61) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL14874681 0.80 KMT2A (0.56) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL24363131 0.77 KMT2A (0.56) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL14874651 0.77 KMT2A (0.49) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL10840568 0.76 KMT2A (0.51) KMT2ALMNAHTTNPSR1NCOA1
SCHEMBL22672408 0.76 NPSR1 (1.00) KMT2ALMNAHTTNPSR1NCOA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917244-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022964-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed