SCHEMBL31124393

SCHEMBL31124393

CSc1c(F)c(F)c(NC(=O)OC(C)(C)C)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ CTSS P25774 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP17A1 P05093 2/20 0.31
▸ SYK P43405 1/20 0.31
▸ APLNR P35414 1/20 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
SCHEMBL31290291 0.86 CTSS (0.42) ATRKMT2ACTSSCA1CA2
SCHEMBL20865565 0.82 ATR (0.40) ATRKMT2ACTSSCA1CA2
SCHEMBL31124321 0.76 ATR (0.41) ATRKMT2ACTSSHTTCA1
SCHEMBL31124503 0.75 CA1 (0.39) ATRKMT2ACTSSCA1CA2
SCHEMBL28475336 0.74 PRMT1 (0.40) ATRKMT2ACTSSCA1CA2
SCHEMBL31124368 0.74 HTT (0.50) KMT2ACTSSHTTCA1CA2
SCHEMBL25830529 0.74 ATR (0.34) ATRCA1CA2
SCHEMBL6124199 0.73 MEN1 (0.43) ATRKMT2ACTSSCA1CA2
SCHEMBL31034725 0.73 ALDH1A1 (0.42) KMT2ACA1CA2MEN1CYP17A1
SCHEMBL4395627 0.72 ALDH1A1 (0.44) ATRLMNAPOLBGAACYP17A1

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-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 — — WO disclosed
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