SCHEMBL11601945

SCHEMBL11601945

O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ TIMP3 P35625 3/20 0.52
▸ USP2 O75604 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ APEX1 P27695 1/20 0.48
▸ ENPP2 Q13822 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ HPSE Q9Y251 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ ENPP3 O14638 1/20 0.46
▸ ENTPD3 O75355 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ TDP2 O95551 1/20 0.46
▸ CBX7 O95931 1/20 0.46
▸ NSD2 O96028 1/20 0.46

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
SCHEMBL11468420 0.87 MEN1 (0.55) ALDH1A1MEN1KMT2ATIMP3USP2
SCHEMBL11635735 0.84 APEX1 (0.44) ALDH1A1MEN1KMT2ATIMP3USP2
SCHEMBL11633419 0.84 APEX1 (0.44) ALDH1A1MEN1KMT2ATIMP3USP2
SCHEMBL11512686 0.83 KMT2A (0.59) ALDH1A1MEN1KMT2ATIMP3USP2
SCHEMBL11514021 0.82 TIMP3 (0.72) ALDH1A1MEN1KMT2ATIMP3USP2
SCHEMBL11512704 0.82 KMT2A (0.57) ALDH1A1MEN1KMT2ATIMP3USP2
SCHEMBL11473094 0.81 APEX1 (0.54) ALDH1A1MEN1KMT2ATIMP3USP2
SCHEMBL11511236 0.81 TIMP3 (0.59) ALDH1A1MEN1KMT2ATIMP3USP2
SCHEMBL30478480 0.80 CD40 (0.59) ALDH1A1MEN1KMT2ATIMP3TDP1
SCHEMBL11514490 0.78 KCNMA1 (0.43) ALDH1A1MEN1KMT2ATDP1APEX1

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-4087548-A NAPHTHALENE TRISULFONIC ACIDS AMERICAN CYANAMID COMPANY (US) 1978-05-02 — — US disclosed
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