SCHEMBL28110259

SCHEMBL28110259

C=Cc1cccc2c1ccc1cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 4/20 0.47
HIF1A Q16665 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CYP1A2 P05177 4/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43

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
Anthracene SCHEMBL28971423 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL29891468 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL27113 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL9006061 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL28305359 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2701066 0.85 HPRT1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL1167375 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL75829 0.85 HPRT1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2701544 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
Benzene SCHEMBL28075690 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008510-A Hg2+ detecting aggregation-induced emission type fluorescent sensor and production method and application thereof 陕西师范大学 2016-10-12 CN claimed
CN-117700614-A Fluorescent nanoparticle based on fluorinated zwitterionic random copolymer, preparation method and application thereof 南京大学 2024-03-15 CN disclosed
CN-106008510-A Hg2+ detecting aggregation-induced emission type fluorescent sensor and production method and application thereof 陕西师范大学 2016-10-12 CN disclosed