SCHEMBL31733487

SCHEMBL31733487

CC(=N[S+]([O-])C(C)(C)C)c1cc2c(cc1O)CCCN2C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ PDK1 Q15118 18/20 0.38
▸ PDK2 Q15119 18/20 0.38
▸ PDK3 Q15120 18/20 0.38
▸ PDK4 Q16654 18/20 0.38
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 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
SCHEMBL31733772 1.00 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL31733731 0.82 PDK1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL31733591 0.73 CA1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL31733550 0.70 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7847330 0.68 GPR119 (0.33) CA12CA1CA2CA7CA9
SCHEMBL7847331 0.68 GPR119 (0.33) CA12CA1CA2CA7CA9
SCHEMBL13041657 0.66 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL12476172 0.63 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2616878 0.63 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2616853 0.63 CA12 (0.44) CA12CA1CA2CA7CA9

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-2025237891-A1 QUINOLINE-2-CARBOXAMIDE DERIVATIVES AS RAD51 INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-11-20 — — WO disclosed
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