SCHEMBL24119080

SCHEMBL24119080

CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)c4ccc5c(ccc6ccccc65)c4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL23890259 0.96 PDK2 (0.32) PDK2CA12CA1CA2CA9
SCHEMBL16773551 0.92 PDK2 (0.33) PDK2GPR84
SCHEMBL25089426 0.92 CA12 (0.36) PDK2CA12CA1CA2CA9
SCHEMBL19597711 0.91 CA12 (0.39) PDK2CA12CA1CA2CA9
SCHEMBL24372463 0.91 PDK2 (0.33) PDK2GPR84
SCHEMBL25089415 0.91 CA12 (0.34) PDK2CA12CA1CA2CA9
SCHEMBL21124057 0.91 CA12 (0.37) PDK2CA12CA1CA2CA9
SCHEMBL26283775 0.91 PDK2 (0.31) PDK2CA12CA1CA2CA9
SCHEMBL25089256 0.91 CA12 (0.35) PDK2CA12CA1CA2CA9
SCHEMBL13706148 0.91 PDK2 (0.34) PDK2HSD17B1HSD17B2

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
US-20210399224-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2021-12-23 US disclosed