SCHEMBL25854803

SCHEMBL25854803

CN(C(=O)Cc1ccc(-c2cc(F)ccc2F)cc1)c1nc(CO)c([S+](C)[O-])s1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 16/20 0.63
CA1 P00915 16/20 0.63
CA2 P00918 16/20 0.63
CA5A P35218 16/20 0.63
CA9 Q16790 16/20 0.63
CA5B Q9Y2D0 16/20 0.63
WNT3A P56704 1/20 0.39
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31187475 0.90 CA12 (0.72) CA12CA1CA2CA5ACA9
SCHEMBL20876170 0.90 CA12 (0.72) CA12CA1CA2CA5ACA9
SCHEMBL29635239 0.87 CA12 (0.66) CA12CA1CA2CA5ACA9
SCHEMBL25854821 0.85 CA12 (0.65) CA12CA1CA2CA5ACA9
SCHEMBL22294683 0.83 CA12 (0.71) CA12CA1CA2CA5ACA9
SCHEMBL25892249 0.83 CA12 (0.74) CA12CA1CA2CA5ACA9
SCHEMBL24767087 0.83 CA12 (0.62) CA12CA1CA2CA5ACA9
SCHEMBL22427644 0.81 CA12 (0.70) CA12CA1CA2CA5ACA9
SCHEMBL20876175 0.81 CA12 (0.70) CA12CA1CA2CA5ACA9
SCHEMBL31213330 0.81 CA12 (0.70) CA12CA1CA2CA5ACA9

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-4209491-A1 ENANTIOMERS OF SUBSTITUTED THIAZOLES AS ANTIVIRAL COMPOUNDS Innovative Molecules GmbH (DE) 2023-07-12 EP disclosed