SCHEMBL27896100

SCHEMBL27896100

CCCCCCCCCCCCn1nc2cccc(Br)c2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.44
TLR8 Q9NR97 3/20 0.41
SLC9A1 P19634 3/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
MPO P05164 1/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36

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
SCHEMBL28702070 1.00 GRM2 (0.44) GRM2TLR8SLC9A1TP53MEN1
SCHEMBL891623 0.84 CSNK2A2 (0.42) GRM2MEN1CYP1A2KMT2ACYP2C9
SCHEMBL3531742 0.84 CSNK2A2 (0.42) GRM2MEN1CYP1A2KMT2ACYP2C9
SCHEMBL14799733 0.84 CSNK2A2 (0.42) GRM2MEN1CYP1A2KMT2ACYP2C9
SCHEMBL28696612 0.84 CSNK2A2 (0.42) GRM2MEN1CYP1A2KMT2ACYP2C9
SCHEMBL15957555 0.82 CSNK2A1 (0.43) GRM2TLR8MEN1CYP1A2KMT2A
SCHEMBL27863683 0.82 GRM2 (0.37) GRM2TLR8SLC9A1TP53MEN1
SCHEMBL28576654 0.81 MEN1 (0.42) TLR8SLC9A1TP53MEN1CYP1A2
SCHEMBL17528648 0.80 TLR8 (0.54) TLR8SLC9A1TP53MEN1CYP1A2
SCHEMBL11325500 0.80 TLR8 (0.54) TLR8SLC9A1TP53MEN1CYP1A2

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-102786666-A Benzotriazolyl-containing copolymer, preparation method and organic electroluminescent devices thereof OCEANS KING LIGHTING SCIENCE 2012-11-21 CN disclosed