SCHEMBL8708017

SCHEMBL8708017

Cc1ccsc1-c1nnnn1OCC(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 4/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL8708939 0.77 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8707682 0.77 HSD17B10 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL8707477 0.75 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8711638 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8713566 0.73 HPGD (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8708569 0.73 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8791633 0.72 CYP2A6 (0.38) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL8792739 0.66 ALDH1A1 (0.52) KMT2AALDH1A1HPGDGAALMNA
SCHEMBL12031648 0.60 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL8284320 0.60 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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