SCHEMBL73570

SCHEMBL73570

CC(C)OC(=O)Nc1ccnc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
CYP2D6 P10635 1/20 0.49
RAB9A P51151 1/20 0.49
GRM5 P41594 1/20 0.44
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
HDAC4 P56524 1/20 0.42
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
ABL1 P00519 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
SMARCA2 P51531 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2637743 0.83 HPGD (0.61) KDM4EHPGDALOX15CYP1A2CYP2C9
SCHEMBL73368 0.82 KDM4E (0.54) KDM4EHPGDALOX15CYP1A2CYP2C9
SCHEMBL2641039 0.81 SMARCA2 (0.59) KDM4EHPGDALOX15HDAC4SMARCA2
SCHEMBL75420 0.81 KDM4E (0.51) KDM4EHPGDALOX15CYP1A2CYP2C9
SCHEMBL16303160 0.80 TYK2 (0.49) KDM4EALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL4174121 0.77 HPGD (0.62) KDM4EHPGDALOX15CYP1A2CYP2C9
SCHEMBL16305244 0.77 KDM4E (0.47) KDM4ECYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL15880770 0.75 GRM5 (0.48) SMN1; SMN2NPC1RAB9AGRM5HDAC4
SCHEMBL16596226 0.75 HSD17B10 (0.48) KDM4EHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL15890194 0.75 CYP1A2 (0.54) KDM4ECYP1A2SMN1; SMN2NPC1RAB9A

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-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed