SCHEMBL7475334

SCHEMBL7475334

CCC(Sc1nnc(NC(=O)C(OC)c2ccccc2)s1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 12/20 0.53
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A2 P23975 1/20 0.43
TACR1 P25103 1/20 0.43
OPRM1 P35372 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7477666 0.88 GLS (0.52) GLSNPC1KMT2ASMN1; SMN2ITGB3
SCHEMBL7477721 0.80 NPC1 (0.52) NPC1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL7482916 0.79 KMT2A (0.51) NPC1KMT2ASMN1; SMN2ITGB3ITGAV
SCHEMBL7481216 0.78 NPC1 (0.54) NPC1KMT2ASMN1; SMN2ITGB3ITGAV
SCHEMBL7478620 0.78 ITGB3 (0.47) GLSNPC1KMT2ASMN1; SMN2ITGB3
SCHEMBL7480443 0.77 NPC1 (0.52) NPC1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL7476548 0.76 MAPT (0.54) NPC1KMT2ASMN1; SMN2ITGB3ITGAV
SCHEMBL7479785 0.74 POLB (0.48) GLSNPC1KMT2ASMN1; SMN2POLB
SCHEMBL7486396 0.72 SMN1; SMN2 (0.41) NPC1KMT2ASMN1; SMN2ITGB3ITGAV
SCHEMBL19920309 0.70 GLS (1.00) GLS

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
WO-1999020618-A1 THIADIAZOLES AMIDES USEFUL AS ANTIINFLAMMATORY AGENTS ACTIVE BIOTECH AB (SE) 1999-04-29 WO claimed