SCHEMBL16129583

SCHEMBL16129583

C/C(=C\Nc1cccs1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.41
MEN1 O00255 8/20 0.41
GAA P10253 7/20 0.41
HSD17B10 Q99714 6/20 0.41
MAPT P10636 6/20 0.41
ALOX15 P16050 5/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
HPGDS O60760 1/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL10755499 0.70 GAA (0.42) KMT2AMEN1GAAHSD17B10MAPT
SCHEMBL16052941 0.70 KMT2A (0.51) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL16052938 0.70 KMT2A (0.51) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL16129653 0.70 RAB9A (0.49) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL5803814 0.70
SCHEMBL20037284 0.70 KDM1A (0.42) KMT2AMEN1GAAMAPTALOX15
SCHEMBL4912594 0.69
SCHEMBL13770099 0.69 KDM1A (0.46) KMT2AMEN1GAAHSD17B10MAPT
SCHEMBL4726387 0.68
SCHEMBL28832863 0.67 KDM1A (0.40) KMT2AMEN1MAPTALOX15SMN1; 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-2014152115-A1 N-,C-DISUBSTITUTED AZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-25 WO disclosed