SCHEMBL28065706

SCHEMBL28065706

CCCCCCCCCCCCOc1ccc(Br)c2ccc(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MCHR1 Q99705 3/20 0.43
ESR1 P03372 2/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
S1PR4 O95977 2/20 0.37
TLR8 Q9NR97 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10683764 0.83 S1PR4 (0.45) KDM4EHTTMCHR1ESR1THRA
SCHEMBL17214339 0.79 KDM4E (0.46) KDM4ELMNAHTTMCHR1MEN1
SCHEMBL13904504 0.79 MCHR1 (0.40) MCHR1TLR8MEN1KMT2AGAA
SCHEMBL7362134 0.78 KDM4E (0.32) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL27702897 0.78 KMT2A (0.50) KDM4EHTTMCHR1ESR1MEN1
SCHEMBL461490 0.76 MCHR1 (0.46) KDM4ELMNAMCHR1ESR1THRA
SCHEMBL681786 0.76 NQO2 (0.50) MEN1KMT2ACNR2
SCHEMBL28065654 0.75 MCHR1 (0.72) KDM4ELMNAHTTMCHR1MEN1
SCHEMBL10682868 0.75 MCHR1 (0.72) KDM4ELMNAHTTMCHR1MEN1
SCHEMBL12700184 0.74 MCHR1 (0.41) LMNAMCHR1THRATHRBTLR8

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
CN-103460086-B Color composition for color filter and colour filter TOYO INK SC HOLDINGS CO.,LTD. (JP) 2016-05-18 CN disclosed