SCHEMBL7477878

SCHEMBL7477878

CCCCCCCCCCCNc1nnc(NC(=O)C=Cc2ccccc2Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
SMN1; SMN2 Q16637 10/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
RAB9A P51151 11/20 0.49
NPC1 O15118 9/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAOB P27338 1/20 0.47
TP53 P04637 3/20 0.47
HPGD P15428 2/20 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
CYP2C19 P33261 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
SCHEMBL7477866 1.00 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7485669 0.87 RAB9A (0.56) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7485660 0.87 RAB9A (0.56) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7487107 0.85 EGFR (0.60) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL7487114 0.85 EGFR (0.60) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL7479601 0.84 MEN1 (0.49) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7479605 0.84 MEN1 (0.49) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7482925 0.84 MAPT (0.60) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7488964 0.84 RAB9A (0.53) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7492399 0.84 MAPT (0.60) MAPTSMN1; SMN2MEN1KMT2AKDM4E

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
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