SCHEMBL3467102

SCHEMBL3467102

O=S(=O)(Cc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2F)s1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.61
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
ABL1 P00519 3/20 0.46
SRC P12931 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3466962 0.88 RAB9A (0.53) CA1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL3467985 0.80 CA1 (0.57) CA1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3467362 0.78 CA1 (0.54) CA1RAB9ASMN1; SMN2NPC1
SCHEMBL3466778 0.73 CA1 (0.53) CA1RAB9ASMN1; SMN2NPC1
SCHEMBL3468755 0.73 CA1 (0.57) CA1RAB9ASMN1; SMN2NPC1
SCHEMBL3476325 0.71 RAB9A (0.44) CA1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL3466980 0.70 ALDH1A1 (0.65) CA1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL14970871 0.69 RAB9A (0.74) RAB9ASMN1; SMN2MEN1KMT2AABL1
SCHEMBL3468086 0.69 ALDH1A1 (0.60) CA1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL3467663 0.69 CA1 (0.74) CA1MEN1KMT2AMAPTABL1

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-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed