SCHEMBL27362455

SCHEMBL27362455

CC(CC(=O)O)C(=O)c1ccc2c(c1)SNC(=O)C2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.34
▸ CRBN Q96SW2 1/20 0.31
▸ SMYD3 Q9H7B4 4/20 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
SCHEMBL27357288 0.83 TDP2 (0.30) TDP2CRBN
SCHEMBL9449454 0.77 MAPT (0.49) TDP2CRBN
SCHEMBL27528567 0.77 ATM (0.40) TDP2CRBN
SCHEMBL8923640 0.76 TSHR (0.35) TDP2
SCHEMBL7343586 0.76 TDP2 (0.34) TDP2CRBNSMYD3
SCHEMBL9730392 0.74 HTT (0.51) —
SCHEMBL9449446 0.74 PTPN1 (0.40) TDP2
SCHEMBL7341257 0.73 SMYD3 (0.33) TDP2SMYD3
SCHEMBL9559416 0.72 ITGB3 (0.32) CRBN
SCHEMBL7699711 0.71 ALDH1A1 (0.51) —

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
CN-1071427-A 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone ORTHO PHARMA CORP (US) 1993-04-28 — — CN disclosed
CN-87108354-A 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones — 1988-09-21 — — CN disclosed
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