SCHEMBL9750654

SCHEMBL9750654

CCOC(=O)c1oc(Nc2c(C)cccc2C)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 5/20 0.39
TP53 P04637 2/20 0.39
SLC26A6 Q9BXS9 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CDKN1A P38936 1/20 0.39
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDO1 P14902 1/20 0.37
NLRP3 Q96P20 1/20 0.37
PKM P14618 1/20 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
SCHEMBL9750596 0.87 SLC26A6 (0.49) KDM4EMAPTALDH1A1TP53SLC26A6
SCHEMBL9750741 0.85 MAPT (0.49) KDM4EMAPTCYP1A2ALDH1A1TP53
SCHEMBL10480148 0.82 KDM4E (0.46) KDM4EMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL2145287 0.82 ALDH1A1 (0.44) KDM4EMAPTALDH1A1SLC26A6SMN1; SMN2
SCHEMBL9751045 0.81 MAPT (0.46) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL9750657 0.80 KDM4E (0.43) KDM4EMAPTCYP1A2ALDH1A1HPGD
SCHEMBL9750580 0.79 P2RY12 (0.45) KDM4EMAPTCYP1A2ALDH1A1SLC26A6
SCHEMBL9750598 0.79 KDM4E (0.42) KDM4EMAPTCYP1A2ALDH1A1HPGD
SCHEMBL2145615 0.78 HTT (0.49) KDM4EMAPTCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9750615 0.78 KDM4E (0.41) KDM4EMAPTCYP1A2ALDH1A1HPGD

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