SCHEMBL25916625

SCHEMBL25916625

Cc1sc(N)nc1CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.45
MPL P40238 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
FBP1 P09467 1/20 0.32
PRMT6 Q96LA8 1/20 0.31

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
SCHEMBL25916483 0.82 NOS1 (0.46) NOS1MPLSMN1; SMN2HSD17B10MAPT
SCHEMBL27910497 0.76 ALDH1A1 (0.33) HSD17B10HPGDALDH1A1FBP1
SCHEMBL5911688 0.74
SCHEMBL25328666 0.72
SCHEMBL28860933 0.72
SCHEMBL25916624 0.72 HRH2 (0.55) NOS1SMN1; SMN2HSD17B10GAAHPGD
SCHEMBL6815280 0.69 NOS1 (0.46) NOS1SMN1; SMN2HSD17B10MAPTGAA
SCHEMBL965933 0.68 NOS1 (0.50) NOS1MPLSMN1; SMN2HSD17B10MAPT
SCHEMBL11999656 0.68 NOS1 (0.45) NOS1SMN1; SMN2HSD17B10MAPTGAA
SCHEMBL1417449 0.67 NOS1 (0.43) NOS1SMN1; SMN2HSD17B10MAPTGAA

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