SCHEMBL16958738

SCHEMBL16958738

COCc1cc(-c2ccccc2)no1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.69
NPC1 O15118 10/20 0.69
SMN1; SMN2 Q16637 8/20 0.69
L3MBTL1 Q9Y468 6/20 0.69
TDP1 Q9NUW8 3/20 0.69
POLB P06746 2/20 0.68
MAPT P10636 4/20 0.62
NOTUM Q6P988 2/20 0.62
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 1/20 0.56
STAT3 P40763 1/20 0.56
STAT1 P42224 1/20 0.56
LMNA P02545 2/20 0.55
CYP11B1 P15538 3/20 0.55
CYP11B2 P19099 2/20 0.55

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
SCHEMBL3226159 0.85 RAB9A (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL13844529 0.83 RAB9A (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL9382780 0.81 RAB9A (0.94) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL805128 0.80 NOTUM (0.68) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL6042615 0.80 RAB9A (0.60) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL17022219 0.79 RAB9A (0.81) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL15503841 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL4120542 0.77 NOTUM (0.64) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL24459722 0.77 NOTUM (0.68) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL1313626 0.77 NOTUM (1.00) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed