SCHEMBL7440861

SCHEMBL7440861

NC(=O)C(Cl)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.52
CA9 Q16790 15/20 0.47
CA12 O43570 14/20 0.47
CA1 P00915 14/20 0.47
CA14 Q9ULX7 9/20 0.47
CA6 P23280 5/20 0.47
CA5A P35218 5/20 0.47
CA7 P43166 5/20 0.47
CA5B Q9Y2D0 5/20 0.47
CA3 P07451 3/20 0.47
CYP2C19 P33261 1/20 0.47
CA4 P22748 4/20 0.47
CA13 Q8N1Q1 3/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AGO2 Q9UKV8 1/20 0.43
MAOA P21397 1/20 0.42

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
SCHEMBL7289374 0.83 LMNA (0.47) KMT2ATSHRMEN1
SCHEMBL3091350 0.77 CA2 (0.56) CA2CA9CA12CA1CA14
SCHEMBL28262857 0.77 CA2 (0.52) CA2CA9CA12CA1CA14
SCHEMBL38657609 0.77 CA2 (0.55) CA2CA9CA12CA1CA14
SCHEMBL5441902 0.75 BRD4 (0.45) CYP2C19KMT2ATSHRTDP1MEN1
SCHEMBL14043148 0.75 CA2 (0.54) CA2CA9CA12CA1CA14
SCHEMBL7431895 0.75 ESR1 (0.41) CA2CA9CA12CA1CA14
SCHEMBL7282803 0.74 THRB (0.42) CA2CA9CA12CA1CYP2C19
SCHEMBL7279315 0.74 KMT2A (0.47) CA2CA1CYP2C19KMT2AMEN1
SCHEMBL1395758 0.74 HDAC3 (0.44) ALDH1A1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed