SCHEMBL29707166

SCHEMBL29707166

Clc1cccc2cc3cccc(Cl)c3cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.59
CYP2A6 P11509 4/20 0.59
NR4A2 P43354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
DAO P14920 1/20 0.39
AHR P35869 2/20 0.39
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
NOS1 P29475 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 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
SCHEMBL6322817 1.00 CYP1A2 (0.59) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL29972350 0.92 CYP2A6 (0.62) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL5668937 0.92 CYP2A6 (0.62) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL476842 0.90 CYP2A6 (0.61) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL29520686 0.90 CYP2A6 (0.61) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL5464506 0.87 CYP2A6 (0.58) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL8476508 0.87 CYP2A6 (0.58) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL31228928 0.87 CYP1A2 (0.58) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL6036927 0.87 CYP2A6 (0.58) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1
SCHEMBL1310983 0.87 CYP2A6 (0.58) CYP1A2CYP2A6NR4A2L3MBTL1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087825-B Preparation of bimetallic catalyst based on anthracene skeleton and application of bimetallic catalyst in high-temperature solution polymerization of olefin 青岛科技大学 2022-06-14 CN claimed
CN-113583030-B Polycyclic aromatic hydrocarbon organic compound, composition and light-emitting device 广东聚华印刷显示技术有限公司 2024-08-23 CN disclosed
CN-110248945-B Anthracene derivative and organic light emitting device including the same 株式会社LG化学 2022-06-14 CN disclosed
CN-113087825-B Preparation of bimetallic catalyst based on anthracene skeleton and application of bimetallic catalyst in high-temperature solution polymerization of olefin 青岛科技大学 2022-06-14 CN disclosed