SCHEMBL5066568

SCHEMBL5066568

O=C(Cn1cncn1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.59
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
Hydrochloric Acid SCHEMBL412860 0.98 CYP19A1 (0.57) CYP19A1MEN1KMT2AMAPTPOLB
SCHEMBL407191 0.91 ALDH1A1 (0.55) CYP19A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12045393 0.88 LMNA (0.52) CYP19A1MEN1KMT2AHDAC1HDAC6
Hydrochloric Acid SCHEMBL9996063 0.87 LMNA (0.51) CYP19A1MEN1KMT2AHDAC1HDAC6
SCHEMBL17208333 0.87 KDM4E (0.50) CYP19A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL673406 0.83 LMNA (0.53) CYP19A1KMT2AMAPTHSP90AA1SMN1; SMN2
SCHEMBL7293623 0.83 HTT (0.63) CYP19A1MEN1KMT2AMAPTPOLB
SCHEMBL412906 0.83 HDAC1 (0.49) CYP19A1MAPTGAAHDAC1HDAC6
SCHEMBL6558375 0.83 CYP1A2 (0.59) CYP19A1MEN1KMT2AMAPTPOLB
SCHEMBL31415831 0.82 SRC (0.48) CYP19A1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574466-B Allyl benzoate compound containing triazole as well as preparation method and application thereof 浙江工业大学 2021-08-03 CN claimed
CN-107686481-B Ultrasonic solvent-free synthesis method of thiazole derivative containing acetophenone triazole group 河南科技大学 2020-10-30 CN claimed
CN-111620827-A Novel allyl ether compound containing triazole as well as preparation method and application thereof 浙江工业大学 2020-09-04 CN claimed
CN-111574466-A Novel allyl benzoate compound containing triazole as well as preparation method and application thereof 浙江工业大学 2020-08-25 CN claimed
CN-107686481-A A kind of method of the thiazole of the ultrasonic wave uninanned platform group of triazole containing acetophenone 河南科技大学 2018-02-13 CN claimed
EP-0061798-B1 NOVEL ANTIMICROBIAL TRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1986-08-20 EP claimed
EP-0061798-A2 Novel antimicrobial triazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1982-10-06 EP claimed
JP-62135466-A None JP disclosed
JP-8198860-A None JP disclosed
JP-8198860-A None JP disclosed
CN-117384132-A Azaaromatic ring pyridine salt and application thereof in olefin functionalization reaction 国科大杭州高等研究院 2024-01-12 CN disclosed
CN-116903448-A Method for preparing 3,4' -dichloro diphenyl ether by using difenoconazole waste 浙江宇龙生物科技股份有限公司 2023-10-20 CN disclosed
CN-111620827-B Allyl ether compound containing triazole and preparation method and application thereof 浙江工业大学 2021-09-21 CN disclosed
EP-0061789-A1 Novel antimicrobial triazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1982-10-06 EP disclosed
EP-0061798-A2 Novel antimicrobial triazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1982-10-06 EP disclosed
EP-0028346-B1 TRISUBSTITUTED BENZYL-OXIME ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1982-08-04 EP disclosed
US-4315017-A Triazole derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
EP-0008651-B1 DERIVATIVES OF TRIAZOLE, PROCESS FOR THEIR PRODUCTION AND INSECTICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0028346-A1 Trisubstituted benzyl-oxime ethers, process for their preparation and their use as fungicides BAYER AG (DE) 1981-05-13 EP disclosed
EP-0008651-A1 Derivatives of triazole, process for their production and insecticides containing them BASF Aktiengesellschaft (DE) 1980-03-19 EP disclosed