SCHEMBL29458592

SCHEMBL29458592

c1ccc(-c2cnc(-c3cccnc3)s2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.67
CYP2A6 P11509 3/20 0.62
DCTPP1 Q9H773 1/20 0.53
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
KDR P35968 1/20 0.44
CYP19A1 P11511 3/20 0.44
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL14636754 1.00 HPGDS (0.67) HPGDSCYP2A6DCTPP1RAB9ANPC1
SCHEMBL18173959 0.90 HPGDS (0.59) HPGDSCYP2A6DCTPP1RAB9ANPC1
SCHEMBL12279413 0.85 HPGDS (0.71) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL252333 0.82 HPGDS (0.57) HPGDSCYP2A6DCTPP1RAB9ANPC1
SCHEMBL29360785 0.82 HPGDS (0.57) HPGDSCYP2A6DCTPP1RAB9ANPC1
SCHEMBL17803411 0.82 HPGDS (0.68) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL12278878 0.81 HPGDS (0.55) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL12279056 0.81 HPGDS (0.58) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL2225949 0.80 HPGDS (0.53) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL20233429 0.80 CYP2A6 (0.63) HPGDSCYP2A6RAB9ANPC1KDM4E

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116076518-A Pyrimidinium compounds and mixtures thereof for combating animal pests 巴斯夫欧洲公司 2023-05-09 CN claimed
CN-120076714-A Pyridine compounds for combating dihydroorotate dehydrogenase inhibitor-resistant phytopathogenic fungi 巴斯夫欧洲公司 2025-05-30 CN disclosed
CN-113166063-B Pesticidal compounds 巴斯夫欧洲公司 2025-02-25 CN disclosed
CN-117355519-A Novel substituted pyridines as fungicides 巴斯夫欧洲公司 2024-01-05 CN disclosed
CN-117355518-A Novel substituted pyridines as fungicides 巴斯夫欧洲公司 2024-01-05 CN disclosed
CN-111491925-B Pesticidal compounds 巴斯夫欧洲公司 2023-12-29 CN disclosed
CN-117295399-A Novel microparticles containing active substances 巴斯夫欧洲公司 2023-12-26 CN disclosed
CN-117241879-A Novel microcapsules containing active substances 巴斯夫欧洲公司 2023-12-15 CN disclosed
CN-110506038-B Pesticidal compounds 巴斯夫欧洲公司 2023-11-24 CN disclosed
CN-116829521-A Synergistic effect of DCD and alkoxypyrazole as nitrification inhibitor 巴斯夫欧洲公司 2023-09-29 CN disclosed
CN-115443267-A Pesticidal compounds 巴斯夫欧洲公司 2022-12-06 CN disclosed
WO-2022225926-A1 COMPOSITIONS AND METHODS FOR IMPROVING PLANT HEALTH AND CONTROLLING PLANT DISEASE AgBiome, Inc. (US) 2022-10-27 WO disclosed
CN-111683529-B Use of alkoxypyrazoles as nitrification inhibitors 巴斯夫欧洲公司 2022-10-14 CN disclosed
CN-115005215-A Mixtures and compositions comprising a paenibacillus strain or fusaricidin and a chemical pesticide 巴斯夫欧洲公司 2022-09-06 CN disclosed
CN-111526719-B Silylethynyl heteroaryl compounds as nitrification inhibitors 巴斯夫欧洲公司 2022-08-16 CN disclosed
CN-109068645-B Mixtures and compositions comprising a paenibacillus strain or fusaricidin and a chemical pesticide 巴斯夫欧洲公司 2022-07-08 CN disclosed
CN-112423590-B Mixtures and use comprising benzpyrimoxan and oxazosulfyl and methods for their application 巴斯夫欧洲公司 2022-07-08 CN disclosed
CN-111801014-B Fungicidal compositions of cloroxen 巴斯夫农业公司 2022-05-27 CN disclosed
CN-114174267-A Pesticidal pyrazole and triazole derivatives 巴斯夫欧洲公司 2022-03-11 CN disclosed
CN-107580592-B Thioether compounds as nitrification inhibitors 巴斯夫欧洲公司 2022-03-04 CN disclosed