SCHEMBL23340618

SCHEMBL23340618

c1ccc2c(c1)Cc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.37
PIM3 Q86V86 1/20 0.36
CYP1A2 P05177 3/20 0.36
SRD5A2 P31213 1/20 0.35
CYP3A4 P08684 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGIR P43119 1/20 0.33
MAP3K9 P80192 2/20 0.33

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
SCHEMBL17693934 0.88 PIM3 (0.38) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL17693950 0.88 PIM3 (0.40) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL22002930 0.86 PIM3 (0.36) PIM3CYP1A2CYP3A4HSD17B10MMP12
SCHEMBL22420501 0.86 PIM3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL17693933 0.86 PIM3 (0.40) GPR3MAPTALOX5PIM3CYP1A2
SCHEMBL15501543 0.85 PIM3 (0.36) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL17052816 0.83 PIM3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL17052820 0.83 PIM3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL17953627 0.83 GPR3 (0.47) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL17953634 0.83 GPR3 (0.47) GPR3ALDH1A1MAPTHPGDRAB9A

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-2021085460-A1 LIGHT-EMITTING ELEMENT MATERIAL CONTAINING PYRROMETHENE BORON COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 東レ株式会社 2021-05-06 WO disclosed