SCHEMBL23027553

SCHEMBL23027553

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)c4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIMK1 P53667 2/20 0.38
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ALOX5 P09917 1/20 0.37
PIM3 Q86V86 1/20 0.37
GPR3 P46089 1/20 0.37
MCL1 Q07820 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAP3K8 P41279 1/20 0.34
SLC9A1 P19634 1/20 0.34

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
SCHEMBL23027546 1.00 F9 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027596 0.99 F9 (0.39) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027560 0.96 F9 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL25852078 0.96 ALOX5 (0.39) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027626 0.95 F9 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL21563840 0.95 ALDH1A1 (0.41) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027674 0.95 ALDH1A1 (0.41) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23025065 0.94 ALOX5 (0.44) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL26080447 0.94 PIM3 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027536 0.94 F9 (0.42) F9ALDH1A1MAPTHPGDRAB9A

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-2021033731-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed