SCHEMBL11853085

SCHEMBL11853085

CNC(=O)ON=C(CSC)C(C)(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Thiofanox SCHEMBL7528288 0.84 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10
Thiofanox SCHEMBL122112 0.84 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10
Thiofanox SCHEMBL8397784 0.84 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10
Thiofanox SCHEMBL5933828 0.84 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10
SCHEMBL11855976 0.83 MCL1 (0.39) TDP1ALDH1A1TSHRHSD17B10
SCHEMBL11848361 0.82 TDP1 (0.33) TDP1ALDH1A1TSHRHSD17B10
SCHEMBL11594841 0.81 TDP1 (0.45) TDP1ALDH1A1TSHRHSD17B10
SCHEMBL11859882 0.80 TDP1 (0.41) TDP1ALDH1A1TSHRHSD17B10
SCHEMBL11846956 0.80 TDP1 (0.41) TDP1ALDH1A1TSHRHSD17B10
SCHEMBL11271356 0.79 TDP1 (0.40) TDP1ALDH1A1TSHRHSD17B10

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-3932471-A CARBAMYLOXIMES, INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1976-01-13 US disclosed