SCHEMBL9494769

SCHEMBL9494769

CCC1CN(c2ccc(F)c(C(F)(F)F)c2)C(=N)S1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.43
NOTUM Q6P988 1/20 0.39
RXRA P19793 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36

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
SCHEMBL8425365 0.83 AR (0.46) ARNOTUMRXRAGRIN1GRIN2B
Hydrochloric Acid SCHEMBL9250211 0.82 AR (0.45) ARNOTUMRXRAGRIN1GRIN2B
SCHEMBL9226976 0.80 GRM2 (0.35) NOTUM
SCHEMBL8010813 0.79 ALDH1A1 (0.40) NOTUM
SCHEMBL10434230 0.78 AR (0.39) ARNOTUM
SCHEMBL9494260 0.74 GRM2 (0.43)
SCHEMBL9491328 0.68 GRM2 (0.45) NOTUM
SCHEMBL9255706 0.64 NOTUM (0.44) ARNOTUMRXRAGRIN1GRIN2B
SCHEMBL2928601 0.64 NOTUM (0.46) ARNOTUMRXRAGRIN1GRIN2B
SCHEMBL8829702 0.64 AR (0.40) ARRXRAGRIN1GRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266701-A Process for production of 2-iminothiazolidines and oxazolidines ICI AMERICAS INC. (US) 1993-11-30 US disclosed
EP-0349283-A1 Novel herbicidal 2-sulfonyliminothiazolidines ZENECA INC. (US) 1990-01-03 EP disclosed
US-4867782-A BROADLEAF AND GRASSY WEEDS ICI AMERICAS INC. (US) 1989-09-19 US disclosed