SCHEMBL7480459

SCHEMBL7480459

O=C(C=Cc1ccccc1)Nc1nnc(NCCN2CCCC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
FSCN1 Q16658 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
MCHR1 Q99705 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
GLS O94925 3/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL7480451 1.00 HSP90AA1 (0.49) HSP90AA1FSCN1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7480861 0.91 RAB9A (0.54) HSP90AA1FSCN1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7480869 0.91 RAB9A (0.54) HSP90AA1FSCN1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7484285 0.85 CYP3A4 (0.53) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL7485346 0.85 CYP3A4 (0.53) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL7480810 0.82 MMP1 (0.55) FSCN1SMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL7488537 0.82 FSCN1 (0.52) FSCN1SMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL7488527 0.82 FSCN1 (0.52) FSCN1SMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL7480813 0.82 MMP1 (0.55) FSCN1SMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL7480244 0.81 HDAC1 (0.46) FSCN1SMN1; SMN2ALDH1A1KMT2ARAB9A

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