SCHEMBL9464877

SCHEMBL9464877

c1ccn(-n2ccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
QPCT Q16769 2/20 0.39
QPCTL Q9NXS2 2/20 0.39
NFKB1 P19838 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2A6 P11509 1/20 0.37
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 5/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
TBXAS1 P24557 2/20 0.33
MAPT P10636 2/20 0.33
IDO1 P14902 2/20 0.33
LMNA P02545 1/20 0.33
ENPP2 Q13822 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
Pyridine SCHEMBL28070451 0.90 TSHR (0.43) CYP3A4QPCTQPCTLNFKB1HSD17B10
SCHEMBL1412677 0.87 NFKB1 (0.47) CYP3A4QPCTQPCTLNFKB1HSD17B10
Ammonia Solution, Strong SCHEMBL27340998 0.84 NFKB1 (0.45) CYP3A4QPCTQPCTLNFKB1HSD17B10
SCHEMBL27961586 0.84 NFKB1 (0.45) CYP3A4QPCTQPCTLNFKB1HSD17B10
Bicarbonate SCHEMBL30411279 0.74 ALDH1A1 (0.48) CYP3A4QPCTQPCTLNFKB1HSD17B10
Biphenyl SCHEMBL27843447 0.74 MEN1 (0.59) CYP3A4MEN1ALOX15TSHRKMT2A
SCHEMBL27786273 0.72 CYP3A4 (0.39) CYP3A4CYP2A6MEN1ALOX15TSHR
Pyridine SCHEMBL28139824 0.69 TSHR (0.60) CYP3A4CYP2A6TSHRNOTUM
SCHEMBL1824256 0.69 NFKB1 (0.33) CYP3A4QPCTQPCTLNFKB1HSD17B10
SCHEMBL102770 0.69 POLB (0.33) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023200009-A1 PROTOZOA TRANSCRIPTION FACTOR INHIBITOR 国立大学法人 東京大学 2023-10-19 WO claimed
US-11079681-B2 Lithography method for positive tone development TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2021-08-03 US claimed
CN-102458130-A Method for increasing the vigor and/or crop yield of agricultural plants under substantially absent pathogen pressure BASF SE 2012-05-16 CN claimed
CN-1863771-A Sequence selective pyrrole and imidazole polyamide metallocomplexes UNIV WESTERN SYDNEY (AU) 2006-11-15 CN claimed
CN-1845733-A TGF-beta gene expression inhibitors UNIV NIHON (JP) 2006-10-11 CN claimed
CN-118325263-A Conductive hydrogel film with glucose response and preparation method and application thereof 重庆医科大学 2024-07-12 CN disclosed
CN-113395993-B Heterocyclic compounds and their use 武田药品工业株式会社 2024-02-20 CN disclosed
WO-2024008891-A1 METHODS FOR MAPPING BINDING SITES OF COMPOUNDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-01-11 WO disclosed
WO-2023200009-A1 PROTOZOA TRANSCRIPTION FACTOR INHIBITOR 国立大学法人 東京大学 2023-10-19 WO disclosed
CN-116056906-A On-press development type lithographic printing plate precursor, method for producing lithographic printing plate, and lithographic printing method 富士胶片株式会社 2023-05-02 CN disclosed
CN-109562952-B Solid-state crystallization method of metal organic framework in mesoporous material and hybrid material thereof 研究三角协会 2022-11-01 CN disclosed
CN-113574051-A Specific substituted 3-phenyl-5-spirocyclopentyl-3-pyrrolin-2-ones and their use as herbicides 拜耳公司 2021-10-29 CN disclosed
CN-1528762-A 6-2-(2-halogen-4-alkoxypenyl)-triazo-pyrimidine of killing fungus �����ɷ� 2004-09-15 CN disclosed
CN-1498213-A Aryl isoxazoline derivatives, process for their preparation and their use as pesticides �Ϻ���ͨ��ѧ 2004-05-19 CN disclosed
CN-1147488-C 6- (2-halo-4-alkoxyphenyl) -triazolopyrimidines, their preparation and use 2004-04-28 CN disclosed
CN-1461298-A Compositions and methods of use thereof achiral analogues of CC-1065 and duocarmycins TAIHO PHARMACEUTICAL CO LTD (JP) 2003-12-10 CN disclosed
CN-1377414-A Self-cleaving RNA sequences and their use in controlling protein synthesis AVENTIS PHARMA SA (FR) 2002-10-30 CN disclosed
CN-1332604-A Chiral imidazole fungicidal compositions and methods for their use CELGENE CORP (US) 2002-01-23 CN disclosed
CN-1302299-A Fungicidal 6- (2-halo-4-alkoxyphenyl) -triazolopyrimidines AMERICAN CYANAMID CO (US) 2001-07-04 CN disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed