SCHEMBL21185802

SCHEMBL21185802

CN1C(=O)C(=C2Sc3c(O)cc(Cl)c(O)c3S2)C(=O)N1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.31
▸ TXNRD3 Q86VQ6 1/20 0.31
▸ TXNRD2 Q9NNW7 1/20 0.31
▸ TTR P02766 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21185523 0.79 AURKA (0.31) TXNRD1TXNRD3TXNRD2
SCHEMBL21192000 0.74 — —
SCHEMBL21185799 0.70 TYR (0.36) ALDH1A1
SCHEMBL21185812 0.67 CGAS (0.36) ALDH1A1
SCHEMBL12243989 0.66 — —
SCHEMBL21185510 0.66 CISD1 (0.33) —
SCHEMBL21185519 0.66 — —
SCHEMBL21185464 0.64 TYR (0.35) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL21185520 0.63 HSD17B3 (0.38) ALDH1A1HSD17B10
SCHEMBL14159052 0.62 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2TTRALDH1A1

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
WO-2019142538-A1 COMPOSITION, CURABLE COMPOSITION, AND COMPOUND 富士フイルム株式会社 2019-07-25 — — WO disclosed
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