SCHEMBL31463129

SCHEMBL31463129

Brc1cccc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
GCGR P47871 2/20 0.47
MAPK14 Q16539 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
HK1 P19367 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
CYP19A1 P11511 1/20 0.45
AHR P35869 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL30538450 0.93 NPC1 (0.60) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL28473897 0.93 NPC1 (0.60) RAB9ANPC1ALDH1A1MAPTHPGD
Pyridine SCHEMBL29287260 0.89 RAB9A (0.54) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL4547022 0.88 RAB9A (0.56) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL29878444 0.88 RAB9A (0.56) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL23183334 0.87 RAB9A (0.62) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL782274 0.86 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL782911 0.86 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL29622959 0.86 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL30495451 0.86 RAB9A (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025057775-A1 MATERIAL FOR PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT, AND IMAGING ELEMENT 東ソー株式会社 2025-03-20 WO disclosed