SCHEMBL7785145

SCHEMBL7785145

CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O.O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.56
KCNMA1 Q12791 5/20 0.54
RORC P51449 2/20 0.52
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6819265 0.94 CXCR2 (0.61) CXCR2KCNMA1RORCKMT2AALDH1A1
SCHEMBL6816544 0.84 ALDH1A1 (0.54) KCNMA1RORCKMT2AALDH1A1KDM4E
SCHEMBL6816581 0.83 CXCR2 (0.63) CXCR2KMT2AALDH1A1MEN1POLB
SCHEMBL9491267 0.78 CXCR2 (0.70) CXCR2KCNMA1KMT2AALDH1A1MEN1
SCHEMBL30296307 0.77 SLC9A1 (0.55) CXCR2RORCKMT2AALDH1A1POLB
SCHEMBL9867130 0.77 CXCR2 (0.58) CXCR2KCNMA1RORCKMT2AALDH1A1
SCHEMBL16685326 0.77 KCNMA1 (0.69) CXCR2KCNMA1RORCKMT2AALDH1A1
SCHEMBL7521275 0.76 CXCR2 (0.55) CXCR2KCNMA1KMT2AALDH1A1KDM4E
SCHEMBL2701850 0.76 KCNMA1 (0.65) CXCR2KCNMA1RORCALDH1A1KDM4E
SCHEMBL6811528 0.76 RAB9A (0.64) KMT2AALDH1A1KDM4EMEN1TP53

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
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed