SCHEMBL9734113

SCHEMBL9734113

Sc1nc2c(N3CCOCC3)cccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
FGFR1 P11362 1/20 0.40
IDO1 P14902 1/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
USP2 O75604 1/20 0.39
PIK3CA P42336 1/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL9734062 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL9305319 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AFGFR1GAA
SCHEMBL28609078 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AFGFR1IDO1
SCHEMBL19207393 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AFGFR1GAA
SCHEMBL8826783 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AFGFR1IDO1
SCHEMBL2192308 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AFGFR1GAA
SCHEMBL28543509 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AFGFR1GAA
SCHEMBL28543507 0.79 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AFGFR1IDO1
SCHEMBL1706586 0.79 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AFGFR1GAA
SCHEMBL9347476 0.73 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AGAAALDH1A1

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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed