SCHEMBL7482173

SCHEMBL7482173

O=C(Nc1nnc(NCc2ccccc2)s1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 6/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
SRC P12931 1/20 0.64
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 3/20 0.60
CSNK2A2 P19784 1/20 0.58
CSNK2A1 P68400 1/20 0.58
GLS O94925 4/20 0.56
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
RXFP1 Q9HBX9 2/20 0.55
CA1 P00915 1/20 0.55

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
SCHEMBL7854832 0.92 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASRC
SCHEMBL7811833 0.82 NPC1 (0.64) NPC1RAB9AMEN1KMT2ASRC
SCHEMBL7483330 0.82 GLS (0.81) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL25386905 0.82 NPC1 (0.61) NPC1RAB9AMEN1KMT2ASRC
SCHEMBL31654008 0.79 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASRC
SCHEMBL7484385 0.79 ABL1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11480689 0.78 CSNK2A2 (0.83) NPC1RAB9AMEN1KMT2ASRC
SCHEMBL31060226 0.78 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASRC
SCHEMBL7484887 0.78 RXFP1 (0.67) NPC1RAB9AMEN1KMT2ASRC
SCHEMBL7485006 0.78 ABL1 (0.72) NPC1RAB9AMEN1KMT2ASRC

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 2 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
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP disclosed