SCHEMBL28697144

SCHEMBL28697144

c1ccc2c(c1)ccc1c(-n3cccc3)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
HPRT1 P00492 3/20 0.56
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 4/20 0.48
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
PAX8 Q06710 1/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.40

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
SCHEMBL1165271 0.87 POLB (0.53) TDP1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL26259567 0.82 ALDH1A1 (0.52) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28395611 0.79 TRPM4 (0.45) TDP1HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL1266835 0.79 IDO1 (0.51) TDP1HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL26259377 0.78 KDM4E (0.50) TDP1ALDH1A1HSD17B10CYP2A6TSHR
Chrysene SCHEMBL384031 0.75 HPRT1 (1.00) TDP1HPRT1ALDH1A1HSD17B10CYP2A6
Chrysene SCHEMBL9786466 0.75 HPRT1 (1.00) TDP1HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL25510 0.75 HPRT1 (1.00) TDP1HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL29640482 0.75 HPRT1 (1.00) TDP1HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL31177955 0.75 HPRT1 (1.00) TDP1HPRT1ALDH1A1HSD17B10CYP2A6

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-117285550-A Organic light-emitting compound, organic electroluminescent device, display screen and electronic equipment 华为技术有限公司 2023-12-26 CN disclosed
CN-113173941-A Charge-transporting ionic compound, composition for charge-transporting film, and light-emitting element using same 三菱化学株式会社 2021-07-27 CN disclosed