SCHEMBL28041316

SCHEMBL28041316

NNc1ccc(-c2ccccc2)c(-c2ccc3ccccc3c2)c1-c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
GSTP1 P09211 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SOS1 Q07889 1/20 0.39
HIF1A Q16665 1/20 0.39
KDR P35968 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
IKBKB O14920 1/20 0.37
FABP3 P05413 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
SCHEMBL5802562 0.83 HSD17B10 (0.37) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL4007611 0.83 GSTP1 (0.55) CYP1A1CYP1B1ADORA2AADORA1GSTP1
SCHEMBL1507897 0.83 ALDH1A1 (0.37) ADORA2AADORA1CYP1A2CYP2D6CYP2C9
SCHEMBL4002627 0.81 GSTP1 (0.53) CYP1A1CYP1B1ADORA2AADORA1GSTP1
SCHEMBL29613117 0.79 ALDH1A1 (0.53) CYP1A1CYP1B1GSTP1CYP1A2CYP2D6
SCHEMBL516553 0.79 ALDH1A1 (0.53) CYP1A1CYP1B1GSTP1CYP1A2CYP2D6
SCHEMBL8720813 0.79 PTGS2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL5057901 0.78 ALOX5 (0.44) ADORA2AADORA1CYP1A2CYP2D6CYP2C9
SCHEMBL707029 0.78 ADORA1 (0.41) ADORA2AADORA1TSHRHDAC2MEN1
SCHEMBL29215916 0.78 HSD17B10 (0.50) CYP1A2CYP2C9CYP2C19KDM4EMEN1

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
CN-105070845-A Organic light-emitting device, manufacturing method thereof, and display method BOE TECHNOLOGY GROUP CO LTD 2015-11-18 CN claimed
CN-105070845-A Organic light-emitting device, manufacturing method thereof, and display method BOE TECHNOLOGY GROUP CO LTD 2015-11-18 CN disclosed