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Sugi Predict / Compounds / 1,2,4-Triazole

1,2,4-Triazole

1,2,4-Triazole

SCHEMBL9772017

Fc1ccc(B(c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc(B(c2ccc(F)cc2)c2ccc(F)cc2)cc1.c1nc[nH]n1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 1/20 0.35
▸ ORAI2 Q96SN7 1/20 0.35
▸ ORAI3 Q9BRQ5 1/20 0.35
▸ TRPV6 Q9H1D0 1/20 0.35
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
1,2,4-Triazole SCHEMBL9847339 0.93 ORAI1 (0.31) ORAI1ORAI2ORAI3TRPV6POLB
1,2,4-Triazole SCHEMBL9772038 0.80 ORAI1 (0.34) ORAI1ORAI2ORAI3TRPV6
SCHEMBL125724 0.73 ORAI1 (0.58) ORAI1ORAI2ORAI3TRPV6
1,2,4-Triazole SCHEMBL6008020 0.71 — —
1,2,4-Triazole SCHEMBL2141756 0.71 — —
1,2,4-Triazole SCHEMBL25331740 0.68 — —
1,2,4-Triazole SCHEMBL4561280 0.68 — —
1,2,4-Triazole SCHEMBL6278932 0.68 — —
1,2,4-Triazole SCHEMBL10937644 0.68 — —
1,2,4-Triazole SCHEMBL7119493 0.68 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448240-A2 Fungicidal organoborane triazole compounds CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-25 — — EP disclosed
US-4983590-A Fungicidal triazole bis(triphenylboranes), derivatives thereof and use thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 — — US disclosed