SCHEMBL11433813

SCHEMBL11433813

Cc1cc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(O)ccc3c2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.46
▸ CASP6 P55212 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ PTGES O14684 1/20 0.41
▸ DEGS1 O15121 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NQO2 P16083 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ BLK P51451 1/20 0.36

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
SCHEMBL11435436 0.91 ENPP2 (0.46) ENPP2CASP6CTDSP1PTGESDEGS1
SCHEMBL11440357 0.87 ENPP2 (0.51) ENPP2CASP6CTDSP1DEGS1MAPT
SCHEMBL11337453 0.86 ENPP2 (0.45) ENPP2PTGESDEGS1MAPTRAB9A
SCHEMBL10907484 0.86 ENPP2 (0.45) ENPP2CASP6CTDSP1PTGESDEGS1
SCHEMBL11425014 0.85 CASP6 (0.57) ENPP2CASP6CTDSP1DEGS1MAPT
SCHEMBL11426058 0.83 CASP6 (0.43) ENPP2CASP6CTDSP1PTGESMAPT
SCHEMBL11423038 0.83 MEN1 (0.52) ENPP2MAPTRAB9AMEN1KMT2A
SCHEMBL11433818 0.82 PTGES (0.41) ENPP2PTGESPLAUNT5E
SCHEMBL11435442 0.82 CASP6 (0.49) ENPP2CASP6CTDSP1MAPTRAB9A
SCHEMBL11433027 0.82 KAT6A (0.46) ENPP2CASP6CTDSP1DEGS1RAB9A

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-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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