SCHEMBL30600017

SCHEMBL30600017

c1ccc2cc3cc4c(cc3cc2c1)[nH]c1ccccc14

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.68
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 2/20 0.58
GPR3 P46089 1/20 0.58
TOP2A P11388 1/20 0.53
KIF11 P52732 14/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.47

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
SCHEMBL29965589 1.00 AHR (0.68) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL15103897 1.00 AHR (0.68) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL5716702 0.96 AHR (0.74) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL31037120 0.96 AHR (0.74) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL29386574 0.96 AHR (0.74) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL17228830 0.94 AHR (0.78) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL15073657 0.94 AHR (0.77) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL15055126 0.94 AHR (0.77) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL20049058 0.92 AHR (0.68) AHRALDH1A1HSD17B10GPR3TOP2A
Benz(B)Anthracene SCHEMBL28529994 0.91 ALDH1A1 (0.70) AHRALDH1A1HSD17B10GPR3KIF11

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-116751229-A OLED luminescent organic material and OLED luminescent device thereof 上海钥熠电子科技有限公司 2023-09-15 CN disclosed