SCHEMBL7486991

SCHEMBL7486991

O=C(C=Cc1ccccc1)Nc1nnc(NCCC(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.49
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
GLS O94925 1/20 0.46
PARP1 P09874 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
EGFR P00533 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 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
SCHEMBL7486979 1.00 FSCN1 (0.49) FSCN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL7477757 0.86 RAB9A (0.50) KMT2ARAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL7477743 0.86 RAB9A (0.50) KMT2ARAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL7488537 0.84 FSCN1 (0.52) FSCN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL7480813 0.84 MMP1 (0.55) FSCN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL7488527 0.84 FSCN1 (0.52) FSCN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL7480810 0.84 MMP1 (0.55) FSCN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL7481131 0.83 MMP1 (0.58) FSCN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL7481144 0.83 MMP1 (0.58) FSCN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL7484874 0.81 FSCN1 (0.49) FSCN1KMT2ARAB9AKDM4ESMN1; SMN2

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