SCHEMBL7477743

SCHEMBL7477743

O=C(/C=C/c1ccccc1Cl)Nc1nnc(NCCC(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.50
MAPT P10636 9/20 0.50
NPC1 O15118 8/20 0.50
MAOB P27338 1/20 0.50
SMN1; SMN2 Q16637 8/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 2/20 0.48
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
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
TRPA1 O75762 1/20 0.46
TRPM8 Q7Z2W7 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
SCHEMBL7477757 1.00 RAB9A (0.50) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7485104 0.89 RAB9A (0.52) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7485094 0.89 RAB9A (0.52) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7488971 0.86 RAB9A (0.53) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7482925 0.86 MAPT (0.60) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7492399 0.86 MAPT (0.60) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7488964 0.86 RAB9A (0.53) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7486979 0.86 FSCN1 (0.49) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7486991 0.86 FSCN1 (0.49) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7487326 0.85 RAB9A (0.62) RAB9AMAPTNPC1MAOBSMN1; SMN2

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