SCHEMBL31395140

SCHEMBL31395140

CCOC(=S)Sc1c(C)cc(C(=O)OC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ LMNA P02545 3/20 0.39

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
SCHEMBL31646543 0.74 KDM4E (0.41) KDM4EALDH1A1CA12CA1CA2
SCHEMBL16175866 0.73 KDM4E (0.68) KDM4EALDH1A1CA12CA1CA2
SCHEMBL16850624 0.73 KDM4E (0.68) KDM4EALDH1A1CA12CA1CA2
SCHEMBL3549042 0.72 PPARG (0.44) KDM4EALDH1A1CA12CA1CA2
SCHEMBL11090116 0.71 MAPT (0.46) KDM4EALDH1A1CA12CA1CA2
SCHEMBL12565531 0.71 ALDH1A1 (0.45) KDM4EALDH1A1CA12CA1CA2
SCHEMBL31643533 0.71 CYP3A4 (0.51) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL2605591 0.70 CA1 (0.60) KDM4EALDH1A1CA12CA1CA2
SCHEMBL10832764 0.68 CA1 (0.58) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1017813 0.68 ABL1 (0.38) KDM4EALDH1A1CA1CA2HDAC3

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-2025049767-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-03-06 — — WO disclosed
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