SCHEMBL9750596

SCHEMBL9750596

CCOC(=O)c1oc(Nc2ccccc2C)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A6 Q9BXS9 2/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CDKN1A P38936 1/20 0.42
P2RY12 Q9H244 1/20 0.42
C1R P00736 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
P2RY1 P47900 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL2145287 0.90 ALDH1A1 (0.44) SLC26A6ALDH1A1MAPTSMN1; SMN2C1R
SCHEMBL9750654 0.87 KDM4E (0.40) SLC26A6ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL9750580 0.87 P2RY12 (0.45) SLC26A6ALDH1A1MAPTSMN1; SMN2P2RY12
SCHEMBL9750741 0.86 MAPT (0.49) ALDH1A1MAPTTP53SMN1; SMN2RAB9A
SCHEMBL10480148 0.81 KDM4E (0.46) ALDH1A1MAPTTP53SMN1; SMN2RAB9A
SCHEMBL9751045 0.80 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2P2RY12RAB9A
SCHEMBL2145615 0.80 HTT (0.49) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL12680960 0.79 P2RY1 (0.68) P2RY1
SCHEMBL9750657 0.79 KDM4E (0.43) ALDH1A1MAPTPOLBHPGDHDAC4
SCHEMBL9750598 0.78 KDM4E (0.42) ALDH1A1MAPTRAB9ANPC1POLB

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
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed