SCHEMBL22720161

SCHEMBL22720161

Nc1ccccc1C(=O)NCc1cccs1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.69
HTT P42858 1/20 0.63
POLB P06746 2/20 0.60
KDM4E B2RXH2 4/20 0.58
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 5/20 0.55
LMNA P02545 2/20 0.54
USP2 O75604 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL2401416 0.83 HPGD (0.71) HPGDHTTPOLBKDM4ETP53
SCHEMBL28221148 0.82 HPGD (0.69) HPGDHTTPOLBKDM4ETP53
SCHEMBL19747178 0.82 HPGD (0.69) HPGDHTTPOLBKDM4ETP53
SCHEMBL12907922 0.80 KDM4E (0.70) HPGDHTTPOLBKDM4ETP53
SCHEMBL4521778 0.78 GAA (0.64) HPGDHTTPOLBKDM4ETP53
SCHEMBL31267447 0.78 ALDH1A1 (0.68) HPGDHTTKDM4ETP53HSD17B10
SCHEMBL2234130 0.78 HPGD (1.00) HPGDHTTPOLBPKMALDH1A1
SCHEMBL29508722 0.77 HPGD (0.79) HPGDHTTKDM4ETP53HSD17B10
SCHEMBL5551614 0.77 HPGD (0.74) HPGDHTTPOLBTSHRPKM
SCHEMBL2319467 0.77 HPGD (0.64) HPGDHTTPOLBKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661459-A 1,2, 3-Benzotriazine-4 (3H) -one seleno compound and preparation method and application thereof 赣南师范大学 2025-03-21 CN disclosed
WO-2020239050-A1 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-12-03 WO disclosed
CN-110041273-B 2- (2-chloro-4-methylphenyl) quinazoline-4 (3H) -ketone compound and medical application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-20 CN disclosed
CN-110041273-A 2- (the chloro- 4- aminomethyl phenyl of 2-) quinazoline -4 (3H) -one class compound and its medical usage 中国人民解放军军事科学院军事医学研究院 2019-07-23 CN disclosed