SCHEMBL11468629

SCHEMBL11468629

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 4/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPSE Q9Y251 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ P2RY11 Q96G91 2/20 0.49
▸ ENPP3 O14638 1/20 0.49
▸ ENTPD3 O75355 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ TDP2 O95551 1/20 0.49
▸ CBX7 O95931 1/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ ESR1 P03372 1/20 0.49

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
SCHEMBL11407252 1.00 TIMP3 (0.53) TIMP3MEN1KMT2ATDP1USP2
SCHEMBL11465117 0.97 TIMP3 (0.50) TIMP3MEN1KMT2ATDP1USP2
SCHEMBL11413358 0.90 TIMP3 (0.52) TIMP3MEN1KMT2ATDP1USP2
SCHEMBL11426644 0.88 TIMP3 (0.51) TIMP3MEN1KMT2ATDP1USP2
SCHEMBL11416499 0.86 KMT2A (0.49) TIMP3MEN1KMT2ATDP1USP2
SCHEMBL11512365 0.86 KCNMA1 (0.46) MEN1KMT2ATDP1ALDH1A1CYP1A2
SCHEMBL11593118 0.84 RECQL (0.61) TIMP3MEN1KMT2ATDP1USP2
SCHEMBL11406431 0.83 TIMP3 (0.56) TIMP3MEN1KMT2ATDP1USP2
SCHEMBL11412413 0.83 TIMP3 (0.56) TIMP3MEN1KMT2ATDP1USP2
SCHEMBL11426050 0.83 KCNMA1 (0.56) MEN1KMT2ATDP1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 — — EP disclosed
US-4180587-A Ureylene phenylene anionic naphthalenesulfonic acids as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1979-12-25 — — US disclosed
Send feedback