SCHEMBL31733591

SCHEMBL31733591

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ PDK1 Q15118 8/20 0.33
▸ PDK2 Q15119 8/20 0.33
▸ PDK3 Q15120 8/20 0.33
▸ PDK4 Q16654 8/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ P2RX1 P51575 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ GRM7 Q14831 1/20 0.30

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
SCHEMBL31733550 0.80 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL31733772 0.73 CA12 (0.39) CA1CA2CA7CA9CA12
SCHEMBL31733487 0.73 CA12 (0.39) CA1CA2CA7CA9CA12
SCHEMBL31733731 0.71 PDK1 (0.45) CA1CA2CA7CA9CA12
SCHEMBL10238670 0.67 PDK1 (0.47) CA1CA2CA7CA9CA12
SCHEMBL13041657 0.65 ALDH1A1 (0.51) CA1CA2CA7CA9CA12
SCHEMBL19465749 0.64 RORC (0.51) CA1CA2CA7CA9CA12
SCHEMBL29162231 0.64 RAB9A (0.43) PDK1PDK2PDK3PDK4MAPT
SCHEMBL29162232 0.64 RAB9A (0.43) PDK1PDK2PDK3PDK4MAPT
SCHEMBL23037409 0.63 MEN1 (0.34) CA9MAPTKDM4EALDH1A1CA14

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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