SCHEMBL11229762

SCHEMBL11229762

O=S(=O)(O)c1cccc(NCc2cccc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 1/20 0.45
MAOB P27338 1/20 0.44
HTR6 P50406 1/20 0.44
PGR P06401 2/20 0.44
FBP1 P09467 1/20 0.44
CYP19A1 P11511 1/20 0.43
CHRM2 P08172 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AKR1C3 P42330 1/20 0.42
GPR17 Q13304 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
SCHEMBL11223157 0.88 CA1 (0.49) MAPTHDAC1FBP1CYP19A1CA1
SCHEMBL10431528 0.86 CA12 (0.51) HDAC6CA1CA2
SCHEMBL11233290 0.86 MEN1 (0.52) MAPTMEN1HTTKMT2A
SCHEMBL11230387 0.85 MAPT (0.53) MAPTHDAC3HDAC1HDAC2HDAC6
Ammonia Solution, Strong SCHEMBL10582019 0.85 CA12 (0.50) HDAC6CA1CA2
SCHEMBL11222945 0.84 FFAR1 (0.51) HDAC6CYP19A1
SCHEMBL29509788 0.83 HDAC8 (0.54) HDAC6HTR6CA1CA2HTT
SCHEMBL10431526 0.83 HDAC8 (0.54) HDAC6HTR6CA1CA2HTT
SCHEMBL6700054 0.82 CHRM2 (0.55) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL632217 0.82 CHRM2 (0.55) MAPTHDAC3HDAC1HDAC2HDAC6

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-4328244-A ANTIVIRAL AGENT THE DOW CHEMICAL COMPANY (US) 1982-05-04 US disclosed