SCHEMBL23633480

SCHEMBL23633480

c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL24770184 0.98 ALDH1A1 (0.44) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL24353285 0.97 MEN1 (0.45) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL27252238 0.97 MEN1 (0.45) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL24770333 0.95 ESR1 (0.42) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL26291228 0.94 CA12 (0.48) ESR1ESR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL24770632 0.94 CA12 (0.48) ESR1ESR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL27456296 0.94 ALDH1A1 (0.44) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL24564863 0.94 MEN1 (0.47) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL24770614 0.94 ESR1 (0.43) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL25796492 0.94 MEN1 (0.47) HSD17B1HSD17B2ESR1ESR2MEN1

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-11063226-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2021-07-13 US disclosed