SCHEMBL8711475

SCHEMBL8711475

O=C(COn1nnnc1-c1cccc(F)c1F)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 3/20 0.45
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
KCNN4 O15554 1/20 0.37
PDK2 Q15119 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
SCHEMBL8711638 0.82 RAB9A (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8708569 0.80 RAB9A (0.47) RAB9ANPC1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL8707682 0.80 HSD17B10 (0.46) RAB9ANPC1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL8708939 0.78 ALDH1A1 (0.51) RAB9ANPC1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL8713566 0.76 HPGD (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8707477 0.76 RAB9A (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8708017 0.73 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8705618 0.66 TP53 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3172999 0.65 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3173322 0.65 GRIN2B (0.54) RAB9ANPC1GRIN2BALDH1A1SMN1; SMN2

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-1998039309-A1 HETEROCYCLIC HERBICIDES DUNLENA PTY. LIMITED (AU) 1998-09-11 WO disclosed