Benzene

Benzene

SCHEMBL28801411

CCCCCc1ncc(N)c(N)n1.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
DHFR P00374 1/20 0.40
TLR7 Q9NYK1 5/20 0.40
TLR8 Q9NR97 9/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
PI4KA P42356 2/20 0.38
PI4K2B Q8TCG2 2/20 0.38
PI4K2A Q9BTU6 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC19A2 O60779 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CASP1 P29466 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3642529 0.91 ADORA2A (0.39) TLR7TLR8ADORA3ADORA2AADORA2B
SCHEMBL4802103 0.81 DHFR (0.38) GPR84DHFRTLR7TLR8ADORA3
SCHEMBL11002501 0.79 MAPT (0.36) GPR84TLR7TLR8ADORA3ADORA2A
SCHEMBL26800975 0.78 KDM4E (0.42) DHFRTLR7TLR8KDM4ESLC19A2
SCHEMBL11001073 0.78 MAPT (0.39) GPR84TLR7ADORA3ADORA2AKCNH2
SCHEMBL28012718 0.75 ADORA1 (0.33) DHFRADORA1KDM4ESLC19A2USP2
SCHEMBL19714623 0.74 HTR2C (0.48) DHFRADORA2AADORA2BADORA1KCNH2
SCHEMBL83448 0.74 KDM4E (0.54) GPR84TLR7TLR8PI4KAPI4K2B
SCHEMBL28477825 0.73 DHFR (0.45) DHFRTLR8KDM4ESLC19A2USP2
SCHEMBL15894462 0.72 RAB9A (0.57) GPR84TLR7TLR8KCNH2KDM4E

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-102933578-A Cyanoquinoline derivatives TIANJIN HEMAY BIO TECH CO LTD 2013-02-13 CN disclosed