SCHEMBL15034458

SCHEMBL15034458

C=C(C)c1ccc(-c2cc(C)cc(C)c2)cc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
GRM5 P41594 5/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
TGFBR1 P36897 2/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 1/20 0.35
PKMYT1 Q99640 1/20 0.34
CNR1 P21554 1/20 0.34
KAT6A Q92794 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL25669241 0.87 LMNA (0.39) BTKGRM5BRD4BRD2BRD3
SCHEMBL14979428 0.83 TGFBR1 (0.39) BTKBRD4BRD2BRD3BAZ2B
SCHEMBL18814738 0.78 CYP2A6 (0.42) GRM5MEN1KMT2AKDM4ENPC1
SCHEMBL15989883 0.77 KDM4E (0.44) BTKGRM5TGFBR1MEN1TP53
SCHEMBL15989832 0.77 TGFBR1 (0.39) BTKGRM5TGFBR1MEN1TP53
SCHEMBL21871827 0.76 CYP3A4 (0.40) MEN1KMT2AKDM4ECCR1CCR5
SCHEMBL15034456 0.75
SCHEMBL23873748 0.74 CYP1A2 (0.49) GRM5TGFBR1MEN1TP53PKM
SCHEMBL27430944 0.74 CYP1A2 (0.49) GRM5TGFBR1MEN1TP53PKM
SCHEMBL18333589 0.74 GRM5 (0.40) BTKGRM5TGFBR1MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322693-B1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-12 EP disclosed
WO-2013085243-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-06-13 WO disclosed