SCHEMBL7488971

SCHEMBL7488971

O=C(O)CCNc1nnc(NC(=O)C=Cc2ccccc2Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.53
MAPT P10636 9/20 0.53
NPC1 O15118 9/20 0.53
MAOB P27338 2/20 0.53
SMN1; SMN2 Q16637 7/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
TRPA1 O75762 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
POLB P06746 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48

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
SCHEMBL7488964 1.00 RAB9A (0.53) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7492399 0.89 MAPT (0.60) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7482925 0.89 MAPT (0.60) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7482930 0.88 RAB9A (0.62) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7487326 0.88 RAB9A (0.62) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7477757 0.86 RAB9A (0.50) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7477743 0.86 RAB9A (0.50) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7483020 0.85 MEN1 (0.54) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7485669 0.85 RAB9A (0.56) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL7483028 0.85 MEN1 (0.54) 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 1 patent. 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