SCHEMBL7487326

SCHEMBL7487326

O=C(C=Cc1ccccc1Cl)Nc1nnc(NCCc2ccccc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
NPC1 O15118 7/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 1/20 0.62
MAPT P10636 7/20 0.52
MAOB P27338 1/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 2/20 0.49
GLS O94925 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TRPA1 O75762 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7482930 1.00 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7485669 0.93 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7485660 0.93 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7484756 0.88 KMT2A (0.59) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7484751 0.88 KMT2A (0.59) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7482925 0.88 MAPT (0.60) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7492399 0.88 MAPT (0.60) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7488971 0.88 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7488964 0.88 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7479287 0.85 RAB9A (0.57) 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 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