SCHEMBL23027564

SCHEMBL23027564

c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)c5ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIMK1 P53667 2/20 0.38
PIK3CA P42336 2/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
PIM3 Q86V86 1/20 0.37
GPR3 P46089 1/20 0.37
SLC9A1 P19634 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL23027623 0.97 F9 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027674 0.97 ALDH1A1 (0.41) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027560 0.96 F9 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027626 0.95 F9 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL21563843 0.95 ALDH1A1 (0.42) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027596 0.94 F9 (0.39) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027625 0.94 ALDH1A1 (0.38) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027546 0.92 F9 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027553 0.92 F9 (0.40) F9ALDH1A1MAPTHPGDRAB9A
SCHEMBL23027565 0.92 PIM3 (0.42) F9ALDH1A1MAPTHPGDLIMK1

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