SCHEMBL30502351

SCHEMBL30502351

Nc1ccc(-c2ccc(N)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.61
MAP4K4 O95819 2/20 0.61
ALDH1A1 P00352 3/20 0.60
TP53 P04637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
CYP3A4 P08684 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
LTA4H P09960 1/20 0.55
MAP3K11 Q16584 1/20 0.53
APP P05067 1/20 0.48

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
SCHEMBL1256963 1.00 PIK3CD (0.61) PIK3CDMAP4K4ALDH1A1TP53HSD17B10
SCHEMBL30337416 0.92 PIK3CD (0.70) PIK3CDMAP4K4ALDH1A1TP53HSD17B10
SCHEMBL29740321 0.89 PIK3CD (0.73) PIK3CDMAP4K4ALDH1A1TP53HSD17B10
SCHEMBL1257460 0.89 PIK3CD (0.73) PIK3CDMAP4K4ALDH1A1TP53HSD17B10
SCHEMBL68829 0.83 MAP4K4 (0.64) PIK3CDMAP4K4ALDH1A1HSD17B10KDM4E
SCHEMBL29568613 0.83 MAP4K4 (0.64) PIK3CDMAP4K4ALDH1A1HSD17B10KDM4E
SCHEMBL16848140 0.81 PIK3CD (0.57) PIK3CDMAP4K4ALDH1A1TP53HSD17B10
SCHEMBL1091572 0.81 PIK3CD (0.57) PIK3CDMAP4K4ALDH1A1KDM4EMKNK1
SCHEMBL312830 0.81 LTA4H (0.79) PIK3CDMAP4K4ALDH1A1TP53KDM4E
SCHEMBL12864338 0.81 NOS3 (0.67) PIK3CDMAP4K4ALDH1A1KDM4EMEN1

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-113999527-B Resin composition, composite resin, preparation and application thereof 广东粤港澳大湾区黄埔材料研究院 2023-07-18 CN disclosed