SCHEMBL9364608

SCHEMBL9364608

O=[N+]([O-])C=CCSc1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.42
▸ TXN P10599 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ CTSZ Q9UBR2 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CTSK P43235 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL10526685 0.74 FDPS (0.44) FDPSTXNTXNRD1CTSZALDH1A1
SCHEMBL596055 0.72 — —
SCHEMBL6356522 0.70 FDPS (0.41) FDPSTXNTXNRD1CTSZALDH1A1
SCHEMBL4686120 0.69 — —
SCHEMBL9370010 0.69 TXNRD1 (0.38) TXNRD1MEN1NPC1HSP90AA1AGTR1
SCHEMBL10577072 0.68 FDPS (0.56) FDPSTXNTXNRD1CTSZALDH1A1
SCHEMBL11385030 0.67 VCP (0.40) ALDH1A1MEN1NPC1HSP90AA1AGTR1
SCHEMBL4684553 0.66 — —
SCHEMBL1064759 0.66 FDPS (0.50) FDPSTXNTXNRD1CTSZALDH1A1
SCHEMBL4686122 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095925-B2 Herbicidal imidazole, pyrazole, thiazole and isothiazole derivatives DU PONT (US) 1994-12-07 — — EP disclosed
US-4946496-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-07 — — US disclosed
US-4931081-A Herbicidal diazoles sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-05 — — US disclosed
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