SCHEMBL16129653

SCHEMBL16129653

C/C(=C\Nc1ccccc1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.49
NPC1 O15118 11/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
RECQL P46063 1/20 0.41
DAO P14920 1/20 0.41
KCNK3 O14649 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
SCHEMBL27530343 0.73
SCHEMBL13811289 0.73
SCHEMBL27540189 0.73 NPC1 (0.52) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL19918088 0.72 RAB9A (0.46) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL14414232 0.71
SCHEMBL16129654 0.71 ALDH1A1 (0.63) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL10412163 0.71 ALDH1A1 (0.48) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL16129583 0.70 KMT2A (0.41) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL14305660 0.70 RAB9A (0.89) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL3018450 0.70

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-2014152115-A1 N-,C-DISUBSTITUTED AZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-25 WO disclosed