SCHEMBL9852841

SCHEMBL9852841

Cn1ncc(Sc2ncc[nH]2)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 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
SCHEMBL1740306 0.71 TXN (0.45) TXNTXNRD1ALDH1A1SMN1; SMN2FDPS
SCHEMBL10932499 0.65
SCHEMBL6527005 0.65 EHMT2 (0.48) TXNTXNRD1ALDH1A1
SCHEMBL9852840 0.63 ALDH1A1 (0.35) TXNTXNRD1ALDH1A1SMN1; SMN2FDPS
SCHEMBL8874 0.63
SCHEMBL3503342 0.62 TXN (0.55) TXNTXNRD1ALDH1A1SMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL8049517 0.61
SCHEMBL1036765 0.61 TXN (0.33) TXNTXNRD1FDPS
SCHEMBL8363007 0.61 NISCH (0.48) TXNTXNRD1ALDH1A1SMN1; SMN2
SCHEMBL10913376 0.60 TXN (0.44) TXNTXNRD1ALDH1A1SMN1; SMN2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed