SCHEMBL8711638

SCHEMBL8711638

O=C(COn1nnnc1-c1ccccc1Cl)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
POLB P06746 4/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.41
PTBP1 P26599 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 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
SCHEMBL8713566 0.87 HPGD (0.53) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL8711475 0.82 RAB9A (0.45) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8708939 0.82 ALDH1A1 (0.51) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8707477 0.80 RAB9A (0.48) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL8707682 0.77 HSD17B10 (0.46) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8708569 0.76 RAB9A (0.47) RAB9ANPC1POLBALDH1A1LMNA
SCHEMBL8708017 0.75 RAB9A (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4513653 0.68 ALDH1A1 (0.58) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL26454997 0.67 RAB9A (0.52) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL30391976 0.67 RAB9A (0.52) RAB9ANPC1POLBMEN1KMT2A

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