SCHEMBL21890960

SCHEMBL21890960

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3sc3c(-c5nc6ccccc6o5)cccc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 3/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL21891232 0.94 HPGD (0.43) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL21890956 0.91 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL21891229 0.91 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL21891097 0.91 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL21890940 0.90 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL22177360 0.90 MAPT (0.40) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL21890966 0.89 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL21890968 0.89 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL21890963 0.88 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL21891140 0.88 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTUSP2

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-2020071863-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-04-09 WO disclosed