SCHEMBL8601596

SCHEMBL8601596

Nc1cc(N)cc(S(=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
TP53 P04637 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
SCHEMBL6885886 0.81 CA1 (0.36)
SCHEMBL6890747 0.78 CA1 (0.33)
SCHEMBL5270799 0.74 ALDH1A1 (0.41) CYP3A4ALDH1A1TSHR
SCHEMBL5312986 0.74 MAPT (0.44) THRBCYP3A4ALDH1A1TSHRCASP1
SCHEMBL7621372 0.74 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRCASP1RECQL
SCHEMBL10691284 0.72 MAPT (0.42) THRBCYP3A4ALDH1A1TSHRCASP1
SCHEMBL9520705 0.69 PDE10A (0.38) ALDH1A1TSHRCASP1
Aniline SCHEMBL17294827 0.69 TSHR (0.52) CYP3A4ALDH1A1TSHR
SCHEMBL3161559 0.69 TSHR (0.46) THRBCYP3A4ALDH1A1TSHRCASP1
SCHEMBL63148 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614930-B1 Modified gelatin types and hydrophilic elements containing them AGFA GEVAERT NV (BE) 1998-02-04 EP disclosed
US-5439791-A Having amino, sulfinic acid or thiol end groups; enhanced reactivity with vinylsulfonyl hardeners AGFA-GEVAERT, N.V. (BE) 1995-08-08 US disclosed
EP-0614930-A1 Modified gelatin types and hydrophilic elements containing them AGFA-GEVAERT N.V. (BE) 1994-09-14 EP disclosed