SCHEMBL29622959

SCHEMBL29622959

Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 3/20 0.61
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
TP53 P04637 1/20 0.53
BIRC5 O15392 1/20 0.53
ABCG2 Q9UNQ0 4/20 0.51
ABCB1 P08183 2/20 0.51
ABCC1 P33527 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
AHR P35869 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49

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
SCHEMBL782274 1.00 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL30495451 1.00 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL782911 1.00 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL29380063 0.96 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL30390337 0.96 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL30782705 0.96 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL15845504 0.96 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL15690587 0.96 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL17725929 0.96 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL30713469 0.96 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437032-B Compound containing tetrabiphenyl and application thereof 上海传勤新材料有限公司 2023-11-21 CN disclosed
CN-114437032-A Compound containing tetrabiphenyl and application thereof 上海传勤新材料有限公司 2022-05-06 CN disclosed