SCHEMBL21180663

SCHEMBL21180663

c1ccc(-c2ccc3c(c2)c(-c2ccc4oc5ccccc5c4c2)cc2cc4sc5ccccc5c4cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.38
PLA2G4A P47712 4/20 0.38
PLA2G10 O15496 1/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 2/20 0.33
PIM3 Q86V86 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL16472926 0.91 MAPT (0.37) PLA2G2APLA2G4AMAPTALDH1A1HPGD
SCHEMBL16472939 0.90 MAPT (0.36) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL14725764 0.88 MAPT (0.37) PLA2G2APLA2G4AMAPTALDH1A1HPGD
SCHEMBL16472803 0.87 MAPT (0.36) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL15946241 0.86 MAPT (0.39) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21180586 0.85 MAPT (0.36) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21180656 0.84 NPC1 (0.34) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL14725740 0.83 AHR (0.37) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL16472933 0.83 ALOX5 (0.38) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL16472916 0.83 ALOX5 (0.38) MAPTALDH1A1HPGDRAB9ASMN1; 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-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed