SCHEMBL31497643

SCHEMBL31497643

O=C(O)c1cc(Br)c(Cl)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
CASP1 P29466 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C4 P17516 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
CA12 O43570 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA13 Q8N1Q1 2/20 0.43

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
SCHEMBL3337006 1.00 CA1 (0.53) CA1CA2ALDH1A1TSHRCASP1
SCHEMBL31535362 0.92 CA1 (0.48) CA1CA2ALDH1A1TSHRCASP1
SCHEMBL18920510 0.83 CA1 (0.52) CA1CA2ALDH1A1TSHRCASP1
SCHEMBL29571327 0.83 CA12 (0.55) CA1CA2ALDH1A1TSHRCASP1
SCHEMBL2129971 0.83 CA12 (0.55) CA1CA2ALDH1A1TSHRCASP1
SCHEMBL17239530 0.83 LCK (0.48) CA1CA2ALDH1A1TSHRCASP1
SCHEMBL9478732 0.82 AKR1C4 (0.50) CA1CA2ALDH1A1TSHRCASP1
SCHEMBL5547041 0.82 CA1 (0.61) CA1CA2ALDH1A1TSHRCASP1
SCHEMBL29755984 0.82 HTT (0.46) ALDH1A1SMN1; SMN2CA9PTGS2PTPN1
SCHEMBL742353 0.82 CA1 (0.46) CA1CA2ALDH1A1TSHRCASP1

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-2025031360-A1 SULFONAMIDE COMPOUND AND USE THEREOF 上海科技大学 2025-02-13 WO disclosed