SCHEMBL28251502

SCHEMBL28251502

N#Cc1c2ccccc2c(N)c2ccc(-c3ccccc3)c(-c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ ADORA2A P29274 5/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ CDK5 Q00535 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL11221660 0.81 KDM4E (0.39) HSD17B10ALDH1A1ADORA2ACDK5LMNA
SCHEMBL27862697 0.77 KDM4E (0.36) HSD17B10ALDH1A1ADORA2ACDK5LMNA
SCHEMBL28150568 0.74 ALDH1A1 (0.36) HSD17B10ALDH1A1ADORA2ACDK5LMNA
SCHEMBL30140861 0.74 ALDH1A1 (0.36) HSD17B10ALDH1A1ADORA2ACDK5LMNA
SCHEMBL5751189 0.73 ALDH1A1 (0.52) HSD17B10ALDH1A1ALOX15PTPN1ADORA2A
SCHEMBL29413350 0.73 HSD17B10 (0.38) HSD17B10ALDH1A1ADORA2AADORA1CDK5
SCHEMBL27550690 0.73 HSD17B10 (0.38) HSD17B10ALDH1A1ADORA2AADORA1CDK5
SCHEMBL29444809 0.71 ADORA2A (0.40) ALDH1A1ADORA2AKDM4EMAPTHPGD
SCHEMBL4249048 0.71 ADORA2A (0.40) ALDH1A1ADORA2AKDM4EMAPTHPGD
SCHEMBL17600567 0.70 ADORA2A (0.39) ALDH1A1ADORA2AKDM4EMEN1POLB

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-108780852-A Luminescent compounds 圣安德鲁斯大学董事会 2018-11-09 — — CN disclosed
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