SCHEMBL7477666

SCHEMBL7477666

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
ITGB3 P05106 4/20 0.45
ITGAV P06756 4/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ITGA2B P08514 1/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7475334 0.88 GLS (0.53) GLSSMN1; SMN2NPC1KMT2AITGB3
SCHEMBL7482916 0.80 KMT2A (0.51) SMN1; SMN2NPC1KMT2AITGB3ITGAV
SCHEMBL7478620 0.80 ITGB3 (0.47) GLSSMN1; SMN2NPC1KMT2AITGB3
SCHEMBL7481216 0.80 NPC1 (0.54) SMN1; SMN2NPC1KMT2AITGB3ITGAV
SCHEMBL7477721 0.78 NPC1 (0.52) SMN1; SMN2NPC1KMT2APOLBMAPT
SCHEMBL7480443 0.78 NPC1 (0.52) SMN1; SMN2NPC1KMT2APOLBMAPT
SCHEMBL7476548 0.78 MAPT (0.54) SMN1; SMN2NPC1KMT2AITGB3ITGAV
SCHEMBL7479785 0.76 POLB (0.48) GLSSMN1; SMN2NPC1KMT2APOLB
SCHEMBL7486396 0.73 SMN1; SMN2 (0.41) SMN1; SMN2NPC1KMT2AITGB3ITGAV
SCHEMBL7482437 0.69 MAPT (0.53) SMN1; SMN2NPC1KMT2AMAPTRAB9A

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 disclosed