SCHEMBL7715858

SCHEMBL7715858

Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
NPC1 O15118 3/20 0.68
LMNA P02545 2/20 0.68
GAA P10253 2/20 0.68
MITF O75030 1/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
DDIT3 P35638 5/20 0.66
STING1 Q86WV6 1/20 0.66
RAB9A P51151 4/20 0.65
KDM4E B2RXH2 2/20 0.65
MAPT P10636 2/20 0.65
HTT P42858 1/20 0.65
POLB P06746 1/20 0.63
JAK2 O60674 1/20 0.60
USP2 O75604 1/20 0.58
GLA P06280 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL24290767 0.92 KMT2A (0.78) KMT2AMEN1NPC1LMNAGAA
SCHEMBL24291507 0.87 STING1 (0.68) KMT2AMEN1NPC1LMNAGAA
SCHEMBL22804212 0.87 KMT2A (0.71) KMT2AMEN1NPC1LMNAGAA
SCHEMBL24291391 0.86 KMT2A (0.66) KMT2AMEN1NPC1LMNAGAA
SCHEMBL24292214 0.85 MEN1 (0.73) KMT2AMEN1NPC1LMNAGAA
SCHEMBL22822765 0.85 MEN1 (0.73) KMT2AMEN1NPC1LMNAGAA
SCHEMBL13219564 0.85 RAB9A (0.69) KMT2AMEN1NPC1LMNAGAA
SCHEMBL13219524 0.85 LMNA (0.77) KMT2AMEN1NPC1LMNAGAA
SCHEMBL14584254 0.85 MEN1 (0.69) KMT2AMEN1NPC1LMNAGAA
SCHEMBL13219511 0.85 KMT2A (0.70) KMT2AMEN1NPC1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed