SCHEMBL7483307

SCHEMBL7483307

O=C(C=Cc1ccccc1)Nc1nnc(NCCCCc2ccccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
GLS O94925 1/20 0.51
FSCN1 Q16658 1/20 0.48
HDAC1 Q13547 2/20 0.48
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC4 P56524 3/20 0.46
HDAC3 O15379 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
SCHEMBL7483298 1.00 MMP1 (0.51) MMP1MMP2MMP9POLBRECQL
SCHEMBL7835345 0.97 MMP1 (0.52) MMP1MMP2MMP9POLBRECQL
SCHEMBL7481144 0.92 MMP1 (0.58) MMP1MMP2MMP9POLBRECQL
SCHEMBL7481131 0.92 MMP1 (0.58) MMP1MMP2MMP9POLBRECQL
SCHEMBL7487107 0.86 EGFR (0.60) GLSFSCN1HDAC1LMNAKMT2A
SCHEMBL7487114 0.86 EGFR (0.60) GLSFSCN1HDAC1LMNAKMT2A
SCHEMBL7485660 0.86 RAB9A (0.56) POLBGLSHDAC1LMNAKMT2A
SCHEMBL7485669 0.86 RAB9A (0.56) POLBGLSHDAC1LMNAKMT2A
SCHEMBL7480813 0.83 MMP1 (0.55) MMP1MMP2MMP9GLSFSCN1
SCHEMBL7480810 0.83 MMP1 (0.55) MMP1MMP2MMP9GLSFSCN1

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