SCHEMBL31235641

SCHEMBL31235641

N#Cc1ccc(Nc2ccc3ncccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GRM4 Q14833 1/20 0.49
EGFR P00533 1/20 0.48
ABCG2 Q9UNQ0 7/20 0.46
ABCB1 P08183 4/20 0.46
ABCC1 P33527 1/20 0.46
RAB9A P51151 1/20 0.46
PABPC1 P11940 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
GSK3B P49841 1/20 0.46
CSNK1G2 P78368 1/20 0.46
MAPKAPK2 P49137 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL15940145 1.00 NPC1 (0.51) NPC1POLBMAPTMEN1KMT2A
SCHEMBL28243561 0.88 CDC7 (0.50) NPC1POLBMAPTMEN1KMT2A
SCHEMBL1011248 0.82 PABPC1 (0.59) NPC1POLBMAPTMEN1KMT2A
SCHEMBL6748149 0.82 NPC1 (0.63) NPC1POLBMAPTMEN1KMT2A
SCHEMBL506632 0.82 POLB (0.57) NPC1POLBMAPTMEN1KMT2A
SCHEMBL31588535 0.82 POLB (0.57) NPC1POLBMAPTMEN1KMT2A
SCHEMBL29843637 0.82 POLB (0.57) NPC1POLBMAPTMEN1KMT2A
SCHEMBL5659795 0.82 NPC1 (0.76) NPC1POLBMAPTMEN1KMT2A
SCHEMBL28616714 0.82 ABCG2 (0.51) NPC1POLBMAPTGRM4EGFR
Fluoride SCHEMBL28218511 0.80 POLB (0.55) NPC1POLBMAPTMEN1KMT2A

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
CN-113248426-B Heterocyclic triarylamine compound and organic photoelectric device containing same 浙江华显光电科技有限公司 2024-10-18 CN disclosed