SCHEMBL22720116

SCHEMBL22720116

Nc1ccccc1C(=O)NC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
NPC1 O15118 3/20 0.66
KDM4E B2RXH2 3/20 0.66
RAB9A P51151 2/20 0.66
LMNA P02545 2/20 0.66
HPGD P15428 2/20 0.66
HTT P42858 2/20 0.66
GAA P10253 4/20 0.62
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PKM P14618 1/20 0.60
APOBEC3G Q9HC16 1/20 0.54
CRBN Q96SW2 1/20 0.54
SGMS2 Q8NHU3 1/20 0.52
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 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
SCHEMBL2154833 0.98 ALDH1A1 (0.69) ALDH1A1NPC1KDM4ERAB9ALMNA
SCHEMBL29229446 0.98 ALDH1A1 (0.69) ALDH1A1NPC1KDM4ERAB9ALMNA
SCHEMBL13161898 0.97 ALDH1A1 (0.61) ALDH1A1NPC1KDM4ERAB9ALMNA
SCHEMBL2060435 0.93 CRBN (0.56) ALDH1A1NPC1KDM4ERAB9ALMNA
Water SCHEMBL28110279 0.91 CRBN (0.55) ALDH1A1NPC1KDM4ERAB9ALMNA
SCHEMBL30666379 0.87 ALDH1A1 (0.77) ALDH1A1NPC1KDM4ERAB9ALMNA
SCHEMBL2771766 0.87 CRBN (0.51) ALDH1A1NPC1KDM4ERAB9ALMNA
SCHEMBL28510668 0.87 CRBN (0.51) ALDH1A1NPC1KDM4ERAB9ALMNA
SCHEMBL27647724 0.87 ALDH1A1 (0.58) ALDH1A1NPC1KDM4ERAB9ALMNA
SCHEMBL2771765 0.87 CRBN (0.51) ALDH1A1NPC1KDM4ERAB9ALMNA

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 11 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 claimed
CN-118184588-A N-aryl/alkyl quinazolinone compound and synthesis method thereof 陕西科技大学 2024-06-14 CN claimed
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
CN-118184588-A N-aryl/alkyl quinazolinone compound and synthesis method thereof 陕西科技大学 2024-06-14 CN disclosed
CN-114276203-B Method for synthesizing 2-aminobenzamide compound by ultraviolet light induction 湖南大学 2023-03-31 CN disclosed
CN-114276203-A Method for synthesizing 2-aminobenzamide compound by ultraviolet light induction 湖南大学 2022-04-05 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-110041272-B 2- (2-chlorphenyl) quinazoline-4 (3H) -ketone derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-30 CN 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
CN-110041272-A 2- (2- chlorphenyl) quinazoline -4 (3H) -one analog derivative and its preparation method and application 中国人民解放军军事科学院军事医学研究院 2019-07-23 CN disclosed