SCHEMBL7485285

SCHEMBL7485285

COc1ccc(CNc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
SETD7 Q8WTS6 1/20 0.59
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
RXFP1 Q9HBX9 2/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 2/20 0.53
G6PD P11413 2/20 0.53
GAA P10253 2/20 0.49

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
SCHEMBL7481623 0.84 KMT2A (0.60) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7486616 0.84 KMT2A (0.70) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7681992 0.81 SETD7 (0.66) LMNASETD7ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7484708 0.79 RXFP1 (0.61) KMT2AMEN1RXFP1G6PDGAA
SCHEMBL7483094 0.79 CFTR (0.52) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7488047 0.79 RXFP1 (0.57) KMT2AMEN1RXFP1MAPTG6PD
SCHEMBL7482392 0.77 RXFP1 (0.58) KMT2AMEN1RXFP1G6PDGAA
SCHEMBL7478864 0.77 MEN1 (0.67) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7486536 0.76 KMT2A (0.61) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7482684 0.76 ALDH1A1 (0.63) LMNAALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP claimed
US-6150385-A VIRICIDE WITH ACTIVITY AGAINST CYTOMEGALO VIRUS (CMV), HERPES VIRUS INCLUDING VARICELLA ZOSTER VIRUS, THE EPSTEIN-BARR VIRUS, THE HERPES SIMPLEX VIRUS, AND THE HUMAN HERPES VIRUS TYPE 8 (HHV-8) PHARMACIA & UPJOHN COMPANY (US) 2000-11-21 US claimed
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP disclosed
EP-1064273-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-01-03 EP disclosed
WO-1999047507-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1999-09-23 WO disclosed