SCHEMBL1563373

SCHEMBL1563373

c1ccc(C(c2ccccc2)(c2ccccc2)n2cncn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 9/20 0.41
LMNA P02545 2/20 0.41
KCNN4 O15554 2/20 0.38
KCNA3 P22001 2/20 0.38
NR1I2 O75469 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TBXA2R P21731 2/20 0.37
CCKBR P32239 2/20 0.37
OPRK1 P41145 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
TRPM2 O94759 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
SCHEMBL21738 0.85 KDM4E (0.41) HSP90AA1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL11605565 0.84 CYP19A1 (0.47) HSP90AA1CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL332191 0.83 KCNN4 (0.61) HSP90AA1CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL10367818 0.81 CYP11B1 (0.38) HSP90AA1CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL14009618 0.80 HSP90AA1 (0.53) HSP90AA1CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL11532322 0.80 CYP19A1 (0.63) HSP90AA1CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL11536568 0.77 LMNA (0.44) HSP90AA1CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL11531946 0.76 HSP90AA1 (0.41) HSP90AA1CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL11532244 0.76 CYP19A1 (0.66) HSP90AA1CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL11532830 0.75 LMNA (0.50) HSP90AA1CYP19A1LMNAMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683574-B Method for synthesizing 1-methyl-1H-1, 2, 4-triazole-3-methyl formate 上海晋鲁医药科技有限公司 2023-11-17 CN claimed
CN-113683574-A Method for synthesizing 1-methyl-1H-1, 2, 4-triazole-3-methyl formate 上海晋鲁医药科技有限公司 2021-11-23 CN claimed
US-5303502-A Method and article for the preventive protection of materials against soil-dwelling pests DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-04-19 US claimed
US-5159778-A METHOD AND ARTICLE FOR THE PREVENTIVE PROTECTION OF MATERIALS AGAINST SOIL-DWELLING PESTS DESOWAG MATERIALSCHUTZ GMBH (DE) 1992-11-03 US claimed
EP-0035096-B2 CONCENTRATE FOR PROTECTING WOOD AND AGENTS PRODUCED THEREFROM FOR THE PRESERVATION OF WOOD AND WOOD MATERIALS Desowag-Bayer Holzschutz GmbH. (DE) 1986-05-28 EP claimed
EP-0035096-B1 CONCENTRATE FOR PROTECTING WOOD AND AGENTS PRODUCED THEREFROM FOR THE PRESERVATION OF WOOD AND WOOD MATERIALS Desowag-Bayer Holzschutz GmbH. (DE) 1983-06-08 EP claimed
EP-0035096-A2 Concentrate for protecting wood and agents produced therefrom for the preservation of wood and wood materials Desowag-Bayer Holzschutz GmbH. (DE) 1981-09-09 EP claimed
JP-56073075-A None JP disclosed
JP-56075478-A None JP disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
CN-113683574-B Method for synthesizing 1-methyl-1H-1, 2, 4-triazole-3-methyl formate 上海晋鲁医药科技有限公司 2023-11-17 CN disclosed
CN-113683574-B Method for synthesizing 1-methyl-1H-1, 2, 4-triazole-3-methyl formate 上海晋鲁医药科技有限公司 2023-11-17 CN disclosed
CN-113683574-A Method for synthesizing 1-methyl-1H-1, 2, 4-triazole-3-methyl formate 上海晋鲁医药科技有限公司 2021-11-23 CN disclosed
US-4134988-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4124369-A Combating fungi and controlling plant growth with 1-amido-1-azolyl-2-hydroxy- or -keto-alkanes BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US disclosed
US-4073901-A Metal complexes of N-trityl-azoles for combatting fungi BAYER AKTIENGESELLSCHAFT (DT) 1978-02-14 US disclosed
US-4048318-A 1-Substituted-1,2,4-triazole fungicides BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-3972891-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed
US-3723622-A FUNGICIDAL COMPOSITION AND METHODS OF KILLING FUNGI USING 1-TRITYL-1,2,4-TRIAZOLES BAYER AG 1973-03-27 US disclosed
US-3723622-A FUNGICIDAL COMPOSITION AND METHODS OF KILLING FUNGI USING 1-TRITYL-1,2,4-TRIAZOLES BAYER AG 1973-03-27 US disclosed