SCHEMBL25915657

SCHEMBL25915657

CC(C)CCc1csc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 4/20 0.49
NOS3 P29474 1/20 0.47
NOS2 P35228 1/20 0.47
NPC1 O15118 3/20 0.46
GABRA5 P31644 1/20 0.46
GABRB2 P47870 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AOC3 Q16853 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 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
SCHEMBL10523486 0.84 SMN1; SMN2 (0.48) NOS1SMN1; SMN2RAB9ANPC1GABRA5
SCHEMBL3615864 0.80 GABRA5 (0.48) NOS1SMN1; SMN2RAB9ANOS3NOS2
SCHEMBL13044712 0.78 SLC6A3 (0.45) NOS1SMN1; SMN2RAB9ANOS3NOS2
SCHEMBL5911714 0.78
SCHEMBL19091148 0.78 SMN1; SMN2 (0.52) NOS1SMN1; SMN2RAB9ANPC1GABRA5
SCHEMBL4970134 0.77 SMN1; SMN2 (0.59) NOS1SMN1; SMN2RAB9ANPC1GABRA5
SCHEMBL13045053 0.77 SLC6A3 (0.44) NOS1NOS3NOS2ALDH1A1MEN1
SCHEMBL28682965 0.76 RAB9A (0.53) NOS1SMN1; SMN2RAB9ANPC1GABRA5
SCHEMBL13045050 0.76 SLC6A3 (0.43) NOS1NOS3NOS2
SCHEMBL307817 0.75

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-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed