SCHEMBL24948784

SCHEMBL24948784

c1ccc(-c2cccc(N(c3ccc(-c4cc(-c5ccccc5)ccc4-n4c5ccccc5c5ccc6ccccc6c54)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CYP11B1 P15538 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL24949170 0.92 TDP1 (0.32) CYP11B1TDP1
SCHEMBL24949878 0.92 HSD17B1 (0.34) HSD17B1HSD17B2CYP11B1
SCHEMBL24374303 0.91 HSD17B1 (0.31) HSD17B1HSD17B2CYP11B1
SCHEMBL24947945 0.91 HSD17B1 (0.31) HSD17B1HSD17B2CYP11B1
SCHEMBL24948479 0.91 CA12 (0.36) HSD17B1HSD17B2
SCHEMBL24947107 0.90 HSD17B1 (0.31) HSD17B1HSD17B2CYP11B1
SCHEMBL24948761 0.90
SCHEMBL20009738 0.89 CA12 (0.34) HSD17B1HSD17B2TDP1
SCHEMBL24949365 0.89 TDP1 (0.30) TDP1
SCHEMBL24949184 0.88 TDP1 (0.32) CYP11B1TDP1

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
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed