SCHEMBL10736645

SCHEMBL10736645

CCOc1ccc2nc(SCCCN)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
LMNA P02545 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALOX5 P09917 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 4/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 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
SCHEMBL14675490 0.90 MAPT (0.65) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL8357492 0.88 MAPT (0.62) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL9389944 0.87 MAPT (0.67) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL14675442 0.87 MAPT (0.67) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL1129400 0.84 MAPT (0.58) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL9439898 0.84 MAPT (0.63) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL8361491 0.81 MAPT (0.66) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL10475190 0.81 ALDH1A1 (0.67) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL6689290 0.81 PDK1 (0.69) MAPTLMNAL3MBTL1MAPK1HTT
SCHEMBL6902202 0.81 MAPT (0.66) MAPTLMNAL3MBTL1MAPK1HTT

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-4634701-A Furan derivatives having anti-ulcer activity AUSONIA FARMACEUTICI S.R.L. (IT) 1987-01-06 US disclosed