SCHEMBL24949200

SCHEMBL24949200

c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6c7ccccc7ccc65)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL24949199 0.99 AKT1 (0.32) AKT1CA12CA1CA2CA9
SCHEMBL24948036 0.97 CA12 (0.32) AKT1CA12CA1CA2CA9
SCHEMBL24947468 0.96 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL20009746 0.96 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL24949339 0.96 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL24947077 0.94 CA12 (0.37) CA12CA1CA2CA9
SCHEMBL24949749 0.93 AKT1 (0.30) AKT1
SCHEMBL24948583 0.93 HSD17B1 (0.31)
SCHEMBL24949162 0.93 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL24948027 0.93 CA12 (0.32) CA12CA1CA2CA9

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