SCHEMBL29967265

SCHEMBL29967265

S=c1[nH]c2cccnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PSMB8 P28062 2/20 0.52
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SIRT1 Q96EB6 1/20 0.43
NUDT1 P36639 2/20 0.42
PSMD14 O00487 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.39
AXL P30530 1/20 0.38

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
SCHEMBL259028 1.00 MAPT (0.52) MAPTALDH1A1HSD17B10PSMB8CYP3A4
SCHEMBL5111018 0.75 MAPT (0.48) MAPTALDH1A1HSD17B10PSMB8CYP3A4
SCHEMBL360425 0.74 PARP1 (0.55) KDM4EAURKAPARP1
SCHEMBL340944 0.74 PRKD3 (0.49) KDM4ESYKAURKAPARP1
SCHEMBL29480586 0.74 PRKD3 (0.49) KDM4ESYKAURKAPARP1
SCHEMBL5389075 0.73 ERAP1 (0.46) MAPTALDH1A1HSD17B10PSMB8CYP3A4
Hydrochloric Acid SCHEMBL30775701 0.72 PRKD3 (0.47) KDM4ESYKAURKAPARP1
Hydrochloric Acid SCHEMBL30594385 0.72 PRKD3 (0.47) KDM4ESYKAURKAPARP1
2-Mercaptobenzimidazole SCHEMBL29360590 0.70 ALDH1A1 (1.00) MAPTALDH1A1HSD17B10PSMB8CYP3A4
2-Mercaptobenzimidazole SCHEMBL705730 0.70 ALDH1A1 (1.00) MAPTALDH1A1HSD17B10PSMB8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118059093-A Inhibitors of short chain dehydrogenase activity for the treatment of fibrosis 卡斯西部储备大学 2024-05-24 CN disclosed
CN-115260164-B Preparation method, structural composition and application of novel 4 (3H) -quinazolinone analogue in antitumor drugs 杭州星鳌生物科技有限公司 2024-03-26 CN disclosed
CN-115260164-A Preparation method and structural composition of novel 4 (3H) -quinazolinone analogue and application of analogue in antitumor drugs 杭州星鳌生物科技有限公司 2022-11-01 CN disclosed