SCHEMBL8707477

SCHEMBL8707477

O=C(COn1nnnc1-c1ccccn1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 5/20 0.46
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.45
NPC1 O15118 4/20 0.43
POLB P06746 1/20 0.43
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.82 ALDH1A1 (0.51) RAB9AALDH1A1HPGDNPC1MEN1
SCHEMBL8711638 0.80 RAB9A (0.52) RAB9AALDH1A1HPGDGAAL3MBTL1
SCHEMBL8707682 0.77 HSD17B10 (0.46) RAB9AALDH1A1HPGDGAANPC1
SCHEMBL8708569 0.76 RAB9A (0.47) RAB9AALDH1A1NPC1POLBLMNA
SCHEMBL8711475 0.76 RAB9A (0.45) RAB9AALDH1A1HPGDNPC1MEN1
SCHEMBL8708017 0.75 RAB9A (0.44) RAB9AALDH1A1HPGDGAANPC1
SCHEMBL8713566 0.73 HPGD (0.53) RAB9AALDH1A1HPGDGAANPC1
SCHEMBL19128428 0.73 ALDH1A1 (0.63) RAB9AALDH1A1HPGDNPC1POLB
SCHEMBL9542013 0.72 TSHR (0.46) RAB9AALDH1A1HPGDL3MBTL1NPC1
SCHEMBL5648996 0.67 CYP2C9 (0.44) RAB9AALDH1A1HPGDGAAL3MBTL1

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