SCHEMBL21180648

SCHEMBL21180648

c1ccc2c(c1)cc(-c1ccc3sc4ccccc4c3c1)c1cc3c(cc12)oc1ccccc13

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.36
ALOX5 P09917 2/20 0.35
GPR3 P46089 1/20 0.34
MAOA P21397 1/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 6/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 2/20 0.32
PRKDC P78527 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CYP11B1 P15538 1/20 0.31
POLB P06746 3/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14725740 0.94 AHR (0.37) AHRALOX5GPR3MAOAMAPT
SCHEMBL21180619 0.93 MAPT (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL21180586 0.93 MAPT (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL16472939 0.90 MAPT (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL16472803 0.88 MAPT (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL21180713 0.87 ALOX5 (0.34) ALOX5
SCHEMBL21180650 0.87 MAPT (0.44) AHRALOX5MAOAMAPTALDH1A1
SCHEMBL21180585 0.87 MAPT (0.44) AHRALOX5MAOAMAPTALDH1A1
SCHEMBL14725764 0.86 MAPT (0.37) AHRALOX5GPR3MAOAMAPT
SCHEMBL16472926 0.86 MAPT (0.37) AHRALOX5GPR3MAOAMAPT

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