SCHEMBL21890969

SCHEMBL21890969

c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c3sc3c(-c5nc6ccccc6o5)cccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 6/20 0.41
KDM4E B2RXH2 5/20 0.41
USP2 O75604 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 6/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT1 P42224 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PTGS2 P35354 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37

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
SCHEMBL21890968 0.94 ALDH1A1 (0.41) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL22736050 0.94 KDM4E (0.43) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL22178454 0.92 MAPT (0.39) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL22736633 0.92 KDM4E (0.41) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL22736067 0.92 NPC1 (0.40) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL22736051 0.92 KDM4E (0.44) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL21890967 0.92 ALDH1A1 (0.43) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL22736552 0.90 ALOX5 (0.42) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL22736565 0.90 KDM4E (0.43) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL22177274 0.90 MAPT (0.42) MAPTALDH1A1HPGDKDM4EUSP2

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