SCHEMBL26588024

SCHEMBL26588024

c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5sc6ccccc6c45)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.35
S1PR4 O95977 6/20 0.35
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
F9 P00740 1/20 0.31
SLC9A1 P19634 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL26588515 0.97 S1PR5 (0.35) S1PR5S1PR4ALDH1A1TP53HPGD
SCHEMBL26588557 0.95 S1PR5 (0.35) S1PR5S1PR4ALDH1A1TP53HPGD
SCHEMBL22255324 0.94 S1PR5 (0.35) S1PR5S1PR4ALDH1A1TP53HPGD
SCHEMBL27273774 0.94 S1PR5 (0.37) S1PR5S1PR4HSD17B1HSD17B2F9
SCHEMBL24841493 0.93 S1PR5 (0.35) S1PR5S1PR4HSD17B1HSD17B2F9
SCHEMBL26588020 0.93 ALDH1A1 (0.33) S1PR5S1PR4ALDH1A1TP53HPGD
SCHEMBL24841751 0.93 S1PR5 (0.36) S1PR5S1PR4HSD17B1HSD17B2F9
SCHEMBL24964099 0.93 S1PR5 (0.36) S1PR5S1PR4HSD17B1HSD17B2F9
SCHEMBL24964106 0.93 S1PR5 (0.36) S1PR5S1PR4HSD17B1HSD17B2F9
SCHEMBL22255452 0.93 S1PR5 (0.34) S1PR5S1PR4HSD17B1HSD17B2F9

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-2023182323-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-09-28 WO disclosed