SCHEMBL7480813

SCHEMBL7480813

O=C(C=Cc1ccccc1)Nc1nnc(NCCNc2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.55
MMP2 P08253 6/20 0.55
MMP9 P14780 6/20 0.55
EGFR P00533 4/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
GLS O94925 1/20 0.52
FSCN1 Q16658 1/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL7480810 1.00 MMP1 (0.55) MMP1MMP2MMP9EGFRMAOA
SCHEMBL7488527 0.88 FSCN1 (0.52) MMP1MMP2MMP9EGFRMAOA
SCHEMBL7488537 0.88 FSCN1 (0.52) MMP1MMP2MMP9EGFRMAOA
SCHEMBL7484874 0.87 FSCN1 (0.49) MMP1MMP2MMP9EGFRMAOA
SCHEMBL7484883 0.87 FSCN1 (0.49) MMP1MMP2MMP9EGFRMAOA
SCHEMBL7481131 0.86 MMP1 (0.58) MMP1MMP2MMP9EGFRMAOA
SCHEMBL7481144 0.86 MMP1 (0.58) MMP1MMP2MMP9EGFRMAOA
SCHEMBL7492399 0.85 MAPT (0.60) MAOAMAOBGLSKMT2AALDH1A1
SCHEMBL7482925 0.85 MAPT (0.60) MAOAMAOBGLSKMT2AALDH1A1
SCHEMBL7486991 0.84 FSCN1 (0.49) MMP1MMP2MMP9EGFRMAOA

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-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