SCHEMBL11438401

SCHEMBL11438401

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.61
▸ NT5E P21589 3/20 0.45
▸ CASP6 P55212 2/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ENPP2 Q13822 2/20 0.39
▸ TIMP3 P35625 1/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ PRMT1 Q99873 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL11438353 0.99 APEX1 (0.60) APEX1NT5ECASP6CTDSP1POLB
SCHEMBL11432619 0.89 APEX1 (0.46) APEX1CASP6CTDSP1POLBMAPT
SCHEMBL11429045 0.85 POLB (0.57) APEX1POLBMAPTGAAPTPN11
SCHEMBL11429040 0.84 POLB (0.56) APEX1POLBMAPTGAAPTPN11
SCHEMBL11589917 0.81 APEX1 (0.77) APEX1NT5ECASP6CTDSP1POLB
SCHEMBL6560534 0.81 APEX1 (0.77) APEX1NT5ECASP6CTDSP1POLB
SCHEMBL5567709 0.81 APEX1 (0.76) APEX1NT5ECASP6CTDSP1MAPT
SCHEMBL11436257 0.80 APEX1 (0.53) APEX1NT5ECASP6CTDSP1POLB
SCHEMBL11597795 0.79 APEX1 (0.69) APEX1NT5ECASP6CTDSP1POLB
SCHEMBL11597004 0.78 APEX1 (0.72) APEX1CASP6CTDSP1POLBMAPT

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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