SCHEMBL31413798

SCHEMBL31413798

CS(=O)(=O)OCc1nn(C2CCCCO2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ CYP2C19 P33261 1/20 0.31
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30
▸ RET P07949 1/20 0.30
▸ BRAF P15056 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
SCHEMBL1475184 0.80 ALDH1A1 (0.36) ALDH1A1POLBKMT2ASMN1; SMN2KDM5B
SCHEMBL1476343 0.79 KDM5B (0.33) ALDH1A1POLBKMT2ASMN1; SMN2KDM5B
SCHEMBL31413853 0.77 ALDH1A1 (0.36) ALDH1A1POLBKMT2ASMN1; SMN2KDM5B
SCHEMBL18485074 0.76 KDM5B (0.38) ALDH1A1POLBKDM5BCYP4F2CYP4A11
SCHEMBL25251923 0.76 CD274 (0.38) KMT2ACYP4F2CYP4A11
SCHEMBL20519004 0.75 CYP4F2 (0.35) CYP2C19CYP4F2CYP4A11RET
SCHEMBL31413839 0.74 ALDH1A1 (0.34) ALDH1A1POLBKMT2ASMN1; SMN2KDM5B
SCHEMBL14903851 0.73 KMT2A (0.38) ALDH1A1POLBKMT2ASMN1; SMN2KDM5B
SCHEMBL14653527 0.71 CYP4F2 (0.42) ALDH1A1POLBCYP4F2CYP4A11
SCHEMBL22235919 0.71 ALDH1A1 (0.38) ALDH1A1POLBKMT2ASMN1; SMN2KDM5B

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-2025078984-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS KRAS DEGRADERS AURIGENE ONCOLOGY LIMITED (IN) 2025-04-17 — — WO disclosed
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