SCHEMBL10821368

SCHEMBL10821368

COC(CN(C)C(=O)Nc1nnc(S)s1)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ATM Q13315 1/20 0.34
▸ GLS O94925 6/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL11214313 0.82 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1LMNATP53
SCHEMBL11215571 0.80 SMN1; SMN2 (0.40) SMN1; SMN2TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL11162712 0.80 KMT2A (0.43) LMNACA12CA1CA2CA3
SCHEMBL11216906 0.79 SMN1; SMN2 (0.39) SMN1; SMN2TSHRALDH1A1LMNATP53
SCHEMBL11214145 0.78 SMN1; SMN2 (0.39) SMN1; SMN2TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL11169766 0.77 MAPT (0.52) LMNATP53
SCHEMBL11215371 0.76 SMN1; SMN2 (0.42) SMN1; SMN2TSHRHSD17B10ALDH1A1LMNA
SCHEMBL14093918 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ATMGLSTSHRKDM4E
SCHEMBL11398951 0.74 ALDH1A1 (0.46) SMN1; SMN2GLSTSHRHSD17B10ALDH1A1
SCHEMBL11294057 0.74 KMT2A (0.41) SMN1; SMN2TSHRALDH1A1KDM4ELMNA

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
US-4576629-A Herbicidal thiadiazole ureas UNION CARBIDE CORPORATION (US) 1986-03-18 — — US disclosed
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