SCHEMBL10757407

SCHEMBL10757407

O=C(CCC(=O)Sc1nc2c(N3CCOCC3)cccc2s1)Sc1nc2c(N3CCOCC3)cccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.42
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10757401 0.83 PDE10A (0.41) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL2192308 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL28543507 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL8826783 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL1706586 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL10757404 0.80 MAPT (0.41) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL28543509 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL9443208 0.78 LMNA (0.41) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL9443308 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB
SCHEMBL10644844 0.75 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HSD17B10MAPK1POLB

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-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 US disclosed