SCHEMBL11429040

SCHEMBL11429040

COC(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)cc([N+](=O)[O-])c1.[NaH].[NaH]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ APEX1 P27695 1/20 0.55
▸ MEN1 O00255 8/20 0.50
▸ KMT2A Q03164 8/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ CASP3 P42574 2/20 0.47
▸ RECQL P46063 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42

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
SCHEMBL11429045 0.99 POLB (0.57) POLBAPEX1MEN1KMT2AALDH1A1
SCHEMBL11597984 0.92 APEX1 (0.65) POLBAPEX1MEN1KMT2AALDH1A1
SCHEMBL11438353 0.85 APEX1 (0.60) POLBAPEX1MEN1KMT2AALDH1A1
SCHEMBL11438401 0.84 APEX1 (0.61) POLBAPEX1MEN1KMT2AALDH1A1
SCHEMBL8755454 0.82 APEX1 (0.70) APEX1MEN1KMT2AALDH1A1MAPT
SCHEMBL10412672 0.81 APEX1 (0.69) POLBAPEX1MEN1KMT2AALDH1A1
SCHEMBL11424495 0.81 APEX1 (0.49) POLBAPEX1MEN1KMT2AALDH1A1
SCHEMBL11407259 0.78 TIMP3 (0.55) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL11425899 0.77 TIMP3 (0.56) POLBMEN1KMT2AALDH1A1MAPT
Lindane SCHEMBL11436245 0.76 APEX1 (0.45) POLBAPEX1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229584-A Ureylenebis(anionic substituted phenylene carbonyl)imino naphthalene sulfonic acids and naphthalene carboxylic acids and their salts AMERICAN CYANAMID COMPANY (US) 1980-10-21 — — US disclosed
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 — — US disclosed
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 — — US disclosed
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