SCHEMBL5572579

SCHEMBL5572579

c1cc(-c2ncncn2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
NOTUM Q6P988 1/20 0.43
CYP19A1 P11511 2/20 0.41
HSP90AA1 P07900 1/20 0.40
DDAH1 O94760 1/20 0.39
NOS1 P29475 1/20 0.39
HPGDS O60760 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KIF11 P52732 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL18327347 0.85 MAPT (0.50) MAPTLMNANOTUMHSP90AA1SMN1; SMN2
SCHEMBL1421973 0.85 NPC1 (0.40) MAPTLMNAHSP90AA1HPGDSTP53
SCHEMBL27849645 0.85 SMN1; SMN2 (0.49) MAPTLMNANOTUMHPGDSPKM
SCHEMBL18327351 0.84 MAPT (0.48) MAPTLMNANOTUMSMN1; SMN2PDGFRB
SCHEMBL18731945 0.81 MAPT (0.50) MAPTLMNANOTUMCYP19A1SMN1; SMN2
SCHEMBL16614438 0.80 MAPT (0.46) MAPTLMNANOTUMHSP90AA1TP53
SCHEMBL18327454 0.80 NOTUM (0.48) MAPTLMNANOTUMCYP19A1KIF11
SCHEMBL2712784 0.80 MAPT (0.56) MAPTLMNANOTUMCYP19A1DDAH1
SCHEMBL18327627 0.79 NOTUM (0.46) MAPTLMNANOTUMCYP19A1SMN1; SMN2
SCHEMBL36826 0.78 NPC1 (0.56) NOTUMHPGDSSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946021-A Nitrogen-containing heterocyclic organic compound, and preparation method and application thereof 南方电网数字电网研究院股份有限公司 2024-04-30 CN claimed
CN-117920197-A Preparation method of monoatomic catalyst with high dispersion of metal active sites 南京工业大学 2024-04-26 CN claimed
CN-116903676-A Structure-adjustable triazinyl metal organic cage and preparation method and application thereof 西安交通大学 2023-10-20 CN claimed
CN-111116615-B Metal phosphonate material with room temperature demagnetizing effect and preparation method thereof 青岛大学 2023-08-18 CN claimed
CN-114456395-B Nickel metal organic frame material and preparation method and application thereof 中国人民解放军火箭军工程大学 2023-05-02 CN claimed
CN-114292414-B Vacancy type polyacid-based metal organic framework molecular material and application thereof in selective catalytic reduction of nitrobenzene 河南大学 2023-03-24 CN claimed
CN-115141248-A Protein crystallization nucleating agent and preparation method thereof 深圳先进技术研究院 2022-10-04 CN claimed
CN-113956497-B Nickel coordination polymer for separating xenon/krypton mixed gas and preparation method thereof 江西师范大学 2022-09-13 CN claimed
CN-112280054-B Yttrium-based metal-organic framework material and application thereof 浙江理工大学 2022-08-23 CN claimed
CN-113603896-B Nickel coordination polymer for separating acetylene/carbon dioxide mixed gas and preparation method thereof 江西师范大学 2022-08-19 CN claimed
CN-112851961-A Thermal activation delayed fluorescent material and preparation method thereof 南开大学 2021-05-28 CN claimed
CN-112592709-A Preparation method of photochromic material based on boron cluster anions 武汉大学 2021-04-02 CN claimed
CN-112280054-A Yttrium-based metal-organic framework material and application thereof 浙江理工大学 2021-01-29 CN claimed
CN-109206445-B Rare earth phosphonate photochromic material and preparation method thereof 青岛大学 2020-09-11 CN claimed
CN-111116615-A Metal phosphonate material with room-temperature demagnetization effect and preparation method thereof 青岛大学 2020-05-08 CN claimed
CN-106832316-B Bimetal porous complex and preparation method thereof 陕西师范大学 2020-04-24 CN claimed
CN-102603807-A Preparation method and application of four nickel coordination polymers UNIV NANKAI 2012-07-25 CN claimed
CN-101121695-B Method for preparing nitrogen-containing onium salt compounds UNIV SUZHOU 2011-05-11 CN claimed
CN-101121695-A Method for preparing nitrogen-containing onium salt compounds UNIV SOOCHOW (CN) 2008-02-13 CN claimed
US-4418221-A SOLVENT EXTRACTION WITH A NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS KOEI CHEMICAL CO., LTD. (JP) 1983-11-29 US claimed