SCHEMBL11633419

SCHEMBL11633419

O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1cccc([N+](=O)[O-])c1S(=O)(=O)O.[Na].[Na].[Na].[Na]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ DDX3X O00571 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TIMP3 P35625 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11635735 1.00 APEX1 (0.44) APEX1L3MBTL1ALDH1A1CYP2C9KCNMA1
SCHEMBL11636816 0.87 TIMP3 (0.47) L3MBTL1ALDH1A1KCNMA1CYP1A2DDX3X
SCHEMBL11601945 0.84 ALDH1A1 (0.52) APEX1ALDH1A1CYP1A2KMT2AUSP2
SCHEMBL11634224 0.84 APEX1 (0.48) APEX1ALDH1A1CYP1A2KMT2AUSP2
SCHEMBL11632695 0.83 APEX1 (0.47) APEX1ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL11633417 0.82 ALDH1A1 (0.41) APEX1L3MBTL1ALDH1A1CYP2C9KCNMA1
SCHEMBL11512365 0.81 KCNMA1 (0.46) APEX1ALDH1A1KCNMA1CYP1A2CYP3A4
SCHEMBL11514490 0.81 KCNMA1 (0.43) APEX1ALDH1A1KCNMA1CYP1A2CYP3A4
SCHEMBL11442053 0.80 APEX1 (0.44) APEX1ALDH1A1KCNMA1CYP3A4KMT2A
SCHEMBL11440007 0.80 APEX1 (0.44) APEX1ALDH1A1CYP2C9KCNMA1CYP1A2

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-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 — — US disclosed
Send feedback