SCHEMBL11336058

SCHEMBL11336058

Cc1ccc(NC(=O)Nc2ccc(C)c(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(O)ccc34)c2)cc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 5/20 0.46
▸ HPSE Q9Y251 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ PRMT1 Q99873 2/20 0.46
▸ MAPT P10636 2/20 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
▸ ESR1 P03372 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ CYP1A2 P05177 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
SCHEMBL11341170 0.96 TIMP3 (0.46) TIMP3HPSEMEN1KMT2ATDP1
SCHEMBL10908534 0.94 MAOB (0.40) TIMP3HPSEMEN1KMT2ATDP1
SCHEMBL10907835 0.89 MAOB (0.40) TIMP3HPSEMEN1KMT2ATDP1
SCHEMBL11349822 0.84 TNNI3 (0.46) TIMP3HPSEMEN1KMT2ATDP1
SCHEMBL11337824 0.84 HPSE (0.45) TIMP3HPSEMEN1KMT2ATDP1
SCHEMBL11335401 0.83 TIMP3 (0.61) TIMP3HPSEMEN1KMT2ATDP1
SCHEMBL10823581 0.83 IDH1 (0.53) MEN1KMT2AIDH1GAA
SCHEMBL11347884 0.82 KMT2A (0.49) TIMP3HPSEMEN1KMT2ATDP1
SCHEMBL11345079 0.82 HPSE (0.47) TIMP3HPSEMEN1KMT2ATDP1
SCHEMBL11430487 0.82 HPSE (0.43) TIMP3HPSEMEN1KMT2ATDP1

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-4297372-A ANTIARTHRITIC AGENTS; COLLAGENASE AND PROTEOLYTIC ENZYME INHIBITORS; BONE, SKIN, AND ORAL DISORDERS AMERICAN CYANAMID COMPANY (US) 1981-10-27 — — US disclosed
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