SCHEMBL25892249

SCHEMBL25892249

Cc1nc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)sc1[S+](N)[O-]

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 18/20 0.74
CA1 P00915 18/20 0.74
CA2 P00918 18/20 0.74
CA5A P35218 18/20 0.74
CA9 Q16790 18/20 0.74
CA5B Q9Y2D0 18/20 0.74
WNT3A P56704 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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 0.92 CA12 (0.72) CA12CA1CA2CA5ACA9
SCHEMBL20876170 0.92 CA12 (0.72) CA12CA1CA2CA5ACA9
SCHEMBL22294683 0.91 CA12 (0.71) CA12CA1CA2CA5ACA9
SCHEMBL20888597 0.88 CA12 (0.67) CA12CA1CA2CA5ACA9
SCHEMBL29635239 0.85 CA12 (0.66) CA12CA1CA2CA5ACA9
SCHEMBL1177291 0.85 CA12 (1.00) CA12CA1CA2CA5ACA9
SCHEMBL30123365 0.85 CA12 (1.00) CA12CA1CA2CA5ACA9
SCHEMBL22055974 0.84 CA12 (0.75) CA12CA1CA2CA5ACA9
SCHEMBL24767096 0.84 CA12 (0.74) CA12CA1CA2CA5ACA9
SCHEMBL25854803 0.83 CA12 (0.63) 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
WO-2023135303-A1 SOLID CRYSTALLINE FORMS OF HELICASE-PRIMASE INHIBITORS AND PROCESS OF PREPARATION THEREOF INNOVATIVE MOLECULES GMBH (DE) 2023-07-20 WO disclosed