SCHEMBL14979428

SCHEMBL14979428

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.39
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
BTK Q06187 1/20 0.34
HTT P42858 1/20 0.33
CHEK2 O96017 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CCR1 P32246 1/20 0.32

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 0.84 LMNA (0.39) TGFBR1BRD4BRD2BRD3BAZ2B
SCHEMBL15034458 0.83 BTK (0.41) TGFBR1BRD4BRD2BRD3BAZ2B
SCHEMBL15989834 0.79 TGFBR1 (0.42) TGFBR1HTTKDM4ETDP1LMNA
SCHEMBL16631453 0.77 TGFBR1 (0.40) TGFBR1HTTKDM4ECTSLCTSK
SCHEMBL13799171 0.74 CTSL (0.44) TGFBR1HTTKDM4ECTSLCTSK
SCHEMBL1102459 0.71 KDM4E (0.48) TGFBR1HTTKDM4ECTSLCTSK
SCHEMBL17563605 0.71 TGFBR1 (0.43) TGFBR1HTTKDM4ECTSLCTSK
SCHEMBL26245567 0.70 LMNA (0.39) TGFBR1BTKCHEK2KDM4ELMNA
SCHEMBL28439261 0.70 KDM4E (0.43) TGFBR1BRD4BRD2BRD3BAZ2B
SCHEMBL18814738 0.70 CYP2A6 (0.42) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed