SCHEMBL21180586

SCHEMBL21180586

c1ccc2c(c1)cc(-c1ccc3oc4ccccc4c3c1)c1cc3sc4ccccc4c3cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 4/20 0.36
HPGD P15428 4/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
ALOX5 P09917 2/20 0.35
GPR3 P46089 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
AHR P35869 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CHEK2 O96017 1/20 0.32
MAPK1 P28482 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 0.94 MAPT (0.37) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL14725764 0.94 MAPT (0.37) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL16472803 0.93 MAPT (0.36) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL21180648 0.93 AHR (0.36) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL21180619 0.90 MAPT (0.36) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL16472939 0.90 MAPT (0.36) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL21180588 0.87 GPR3 (0.42) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL14725740 0.86 AHR (0.37) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL16472888 0.86 GRM4 (0.32) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL16472674 0.86 GPR84 (0.35) MAPTALDH1A1KDM4ERAB9AHPGD

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