SCHEMBL7479601

SCHEMBL7479601

CCSCCNc1nnc(NC(=O)/C=C/c2ccccc2Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
MAPT P10636 10/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 10/20 0.48
NPC1 O15118 8/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAOB P27338 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
SCHEMBL7479605 1.00 MEN1 (0.49) MEN1KMT2APOLBGAAGPR55
SCHEMBL7483020 0.86 MEN1 (0.54) MEN1KMT2APOLBGAAGPR55
SCHEMBL7483028 0.86 MEN1 (0.54) MEN1KMT2APOLBGAAGPR55
SCHEMBL7482017 0.85 ALDH1A1 (0.48) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL7482010 0.85 ALDH1A1 (0.48) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL7477866 0.84 MAPT (0.50) MEN1KMT2APOLBGAAGPR55
SCHEMBL7477878 0.84 MAPT (0.50) MEN1KMT2APOLBGAAGPR55
SCHEMBL7482925 0.83 MAPT (0.60) MEN1KMT2APOLBGAAGPR55
SCHEMBL7488964 0.83 RAB9A (0.53) MEN1KMT2APOLBGAAGPR55
SCHEMBL7492399 0.83 MAPT (0.60) MEN1KMT2APOLBGAAGPR55

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 5 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
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