SCHEMBL22688463

SCHEMBL22688463

Brc1ccc(-c2cc3ccccc3c3c2oc2ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
TNKS O95271 1/20 0.46
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDC14B O60729 3/20 0.39
CDC14A Q9UNH5 3/20 0.39
NPC1 O15118 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GRM2 Q14416 1/20 0.38
ALOX5 P09917 1/20 0.38
MIF P14174 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9950424 0.89 KDM4E (0.49) MAOBTNKSADORA3ADORA2AADORA1
SCHEMBL29363031 0.89 KDM4E (0.49) MAOBTNKSADORA3ADORA2AADORA1
SCHEMBL22688535 0.88 MAOB (0.46) MAOBTNKSADORA3ADORA2AADORA1
SCHEMBL17382520 0.87 ABCG2 (0.43) MAOBTNKSADORA3ADORA2AADORA1
SCHEMBL15667642 0.86 MAOB (0.49) MAOBRAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL22451815 0.85 GPR84 (0.49) MAOBTNKSRAB9AALDH1A1KDM4E
SCHEMBL9949996 0.85 KDM4E (0.43) MAOBADORA2ARAB9AALDH1A1KDM4E
SCHEMBL21861131 0.84 MAPT (0.44) MAOBRAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL18539511 0.84 TNKS (0.47) MAOBTNKSADORA3ADORA2AADORA1
SCHEMBL17382975 0.83 MAOB (0.47) MAOBRAB9AALDH1A1KDM4EL3MBTL1

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-2020231197-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-11-19 WO disclosed