SCHEMBL7485669

SCHEMBL7485669

O=C(C=Cc1ccccc1Cl)Nc1nnc(NCCCCc2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 8/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 7/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 3/20 0.47
GLS O94925 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
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
TRPA1 O75762 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
SCHEMBL7485660 1.00 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7487326 0.93 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7482930 0.93 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7477878 0.87 MAPT (0.50) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7477866 0.87 MAPT (0.50) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7483307 0.86 MMP1 (0.51) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7483298 0.86 MMP1 (0.51) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7488964 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7482925 0.85 MAPT (0.60) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7492399 0.85 MAPT (0.60) RAB9ANPC1SMN1; SMN2LMNAHPGD

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