SCHEMBL21177823

SCHEMBL21177823

Nc1nc2ccc(C(O)c3ccccc3)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
SCN4A P35499 1/20 0.60
PIK3CA P42336 3/20 0.56
PI4KA P42356 3/20 0.56
PI4KB Q9UBF8 3/20 0.56
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
AXL P30530 1/20 0.49
GFER P55789 1/20 0.49
CYP3A4 P08684 2/20 0.48
PIK3CD O00329 3/20 0.48
PIK3CG P48736 3/20 0.48

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
SCHEMBL8548185 0.87 RAB9A (0.59) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
SCHEMBL9380475 0.82 PI4KA (0.54) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
SCHEMBL8122351 0.80 RAB9A (0.76) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
SCHEMBL21177812 0.78 AXL (0.60) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
SCHEMBL8977488 0.76 RAB9A (0.60) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
SCHEMBL1309315 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
SCHEMBL74053 0.75 RAB9A (0.68) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
Hydrochloric Acid SCHEMBL9619911 0.75 RAB9A (0.59) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
SCHEMBL18879306 0.73 RAB9A (0.76) RAB9ANPC1SMN1; SMN2SCN4APIK3CA
SCHEMBL27527540 0.73 RAB9A (0.69) RAB9ANPC1SMN1; SMN2SCN4APIK3CA

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
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed