SCHEMBL11423249

SCHEMBL11423249

O=C(Nc1ccc(O)c2c(S(=O)(=O)O)cccc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 3/20 0.62
▸ CD40LG P29965 3/20 0.62
▸ DUSP3 P51452 2/20 0.57
▸ PTPN5 P54829 2/20 0.57
▸ PTPN11 Q06124 2/20 0.57
▸ CASP6 P55212 1/20 0.57
▸ NPC1 O15118 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ PARP1 P09874 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ PABPC1 P11940 1/20 0.50
▸ EIF4H Q15056 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ ALOX5 P09917 1/20 0.46

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
SCHEMBL11428711 0.95 CD40 (0.66) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11432355 0.92 CD40 (0.63) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11430290 0.89 KMT2A (0.63) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11431112 0.88 CD40 (0.61) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11425283 0.88 CD40 (0.64) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11421827 0.88 CD40 (0.63) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11757962 0.86 CD40 (0.66) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11426141 0.84 KMT2A (0.63) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11423070 0.84 CD40 (0.66) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11425089 0.83 CD40 (0.72) CD40CD40LGDUSP3PTPN5PTPN11

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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