SCHEMBL11437677

SCHEMBL11437677

O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[Na].[Na].[Na]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.44
▸ RORC P51449 2/20 0.43
▸ MAPT P10636 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ KCNMA1 Q12791 2/20 0.40
▸ NT5E P21589 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SLC5A1 P13866 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ CD40 P25942 2/20 0.39
▸ CD40LG P29965 2/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CYP3A4 P08684 2/20 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
SCHEMBL11437668 0.99 CASP6 (0.43) CASP6RORCMAPTRAB9AMEN1
SCHEMBL11444089 0.93 ALDH1A1 (0.41) CASP6RORCMAPTRAB9AMEN1
SCHEMBL11444085 0.92 ALDH1A1 (0.40) CASP6RORCMAPTRAB9AMEN1
SCHEMBL11433142 0.87 APEX1 (0.56) RORCMAPTRAB9AMEN1KMT2A
SCHEMBL11152668 0.87 APEX1 (0.44) RORCMAPTRAB9AMEN1KMT2A
SCHEMBL11440007 0.87 APEX1 (0.44) RORCMAPTRAB9AMEN1KMT2A
SCHEMBL11418896 0.87 APEX1 (0.44) RORCMAPTRAB9AMEN1KMT2A
SCHEMBL11433134 0.86 APEX1 (0.55) RORCMAPTRAB9AMEN1KMT2A
SCHEMBL11418887 0.86 APEX1 (0.43) RORCMAPTRAB9AMEN1KMT2A
SCHEMBL11437646 0.84 CD40 (0.51) RORCMAPTRAB9AMEN1KMT2A

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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