SCHEMBL7487107

SCHEMBL7487107

CCCCCCCCCCCNc1nnc(NC(=O)/C=C/c2ccccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
HDAC3 O15379 3/20 0.51
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 4/20 0.48
FSCN1 Q16658 1/20 0.48
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 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
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
MEN1 O00255 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL7487114 1.00 EGFR (0.60) EGFRHDAC3RAB9AALDH1A1HPGD
SCHEMBL7483298 0.86 MMP1 (0.51) HDAC3RAB9AALDH1A1HPGDNPSR1
SCHEMBL7483307 0.86 MMP1 (0.51) HDAC3RAB9AALDH1A1HPGDNPSR1
SCHEMBL7835345 0.85 MMP1 (0.52) HDAC3RAB9AALDH1A1HPGDNPSR1
SCHEMBL7477878 0.85 MAPT (0.50) RAB9AALDH1A1HPGDLMNANPC1
SCHEMBL7477866 0.85 MAPT (0.50) RAB9AALDH1A1HPGDLMNANPC1
SCHEMBL7480813 0.83 MMP1 (0.55) EGFRRAB9AALDH1A1HPGDNPSR1
SCHEMBL7480810 0.83 MMP1 (0.55) EGFRRAB9AALDH1A1HPGDNPSR1
SCHEMBL7488537 0.83 FSCN1 (0.52) EGFRHDAC3RAB9AALDH1A1HPGD
SCHEMBL7488527 0.83 FSCN1 (0.52) EGFRHDAC3RAB9AALDH1A1HPGD

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 7 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
EP-1064273-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-01-03 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
WO-1999047507-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1999-09-23 WO 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