SCHEMBL7492399

SCHEMBL7492399

O=C(C=Cc1ccccc1Cl)Nc1nnc(NCCNc2ccccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
RAB9A P51151 10/20 0.60
NPC1 O15118 9/20 0.60
MAOB P27338 2/20 0.60
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
POLB P06746 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50

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
SCHEMBL7482925 1.00 MAPT (0.60) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7488971 0.89 RAB9A (0.53) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7488964 0.89 RAB9A (0.53) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7487326 0.88 RAB9A (0.62) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7482930 0.88 RAB9A (0.62) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7477743 0.86 RAB9A (0.50) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7477757 0.86 RAB9A (0.50) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7483020 0.85 MEN1 (0.54) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7485669 0.85 RAB9A (0.56) MAPTRAB9ANPC1MAOBGAA
SCHEMBL7485660 0.85 RAB9A (0.56) MAPTRAB9ANPC1MAOBGAA

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