SCHEMBL20698282

SCHEMBL20698282

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c5c(cccc35)-c3ccc(-c5ccc6ccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9c%10c(cccc8%10)-c8ccccc8-9)n7)cc6c5)cc3-4)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 4/20 0.39
TSHR P16473 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 3/20 0.39
CASP1 P29466 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPT P10636 4/20 0.38
ATM Q13315 3/20 0.38
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL19271437 0.95 ALDH1A1 (0.41) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL17692170 0.95 ALDH1A1 (0.43) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL17692199 0.93 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL12200480 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL17692171 0.91 ALDH1A1 (0.46) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL25822852 0.89 ALDH1A1 (0.43) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL17692185 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL25602957 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL25595954 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL25118737 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2

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-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed