SCHEMBL22197878

SCHEMBL22197878

CCc1[nH]c(C(=O)N[C@@H]2CCN(c3nnc([C@@H](O)CO)s3)C[C@@H]2O)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCC2 Q92887 2/20 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
SCHEMBL22198042 1.00 ABCC2 (0.31) ABCC2
SCHEMBL22197887 0.92 ABCC2 (0.33) ABCC2
SCHEMBL22198034 0.92 ABCC2 (0.33) ABCC2
SCHEMBL22197883 0.92 ABCC2 (0.33) ABCC2
SCHEMBL22198041 0.92 ABCC2 (0.33) ABCC2
SCHEMBL22197881 0.92 ABCC2 (0.33) ABCC2
SCHEMBL22197885 0.92 ABCC2 (0.33) ABCC2
SCHEMBL22197886 0.92 ABCC2 (0.33) ABCC2
SCHEMBL20557167 0.90 ABCC2 (0.42) ABCC2
SCHEMBL20557306 0.90 ABCC2 (0.42) ABCC2

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
EP-3356361-B1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2020-07-08 EP disclosed