SCHEMBL21180571

SCHEMBL21180571

c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4c4cc5sc6ccccc6c5cc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MPI P34949 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
CYP11B1 P15538 1/20 0.32
APP P05067 1/20 0.32
CYP1A2 P05177 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
SCHEMBL21180664 1.00 GPR3 (0.36) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL16472914 0.94 GPR3 (0.37) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL14725617 0.94 GPR3 (0.37) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL15461832 0.94 GPR3 (0.37) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21180583 0.88 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL15946240 0.88 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21180620 0.88 GPR3 (0.44) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL16837487 0.88 ALDH1A1 (0.35) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL16837486 0.88 ALDH1A1 (0.35) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL16837500 0.86 CYP11B1 (0.35) GPR3ALDH1A1MAPTHPGDRAB9A

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