SCHEMBL3717558

SCHEMBL3717558

COc1ccc(C=NO)c(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 4/20 0.45
CYP1A1 P04798 4/20 0.45
CYP1B1 Q16678 4/20 0.45
AMY1A P0DUB6 1/20 0.43
MEN1 O00255 2/20 0.41

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
SCHEMBL3717557 1.00 LMNA (0.50) LMNAHPGDHTTL3MBTL1KMT2A
SCHEMBL8237102 0.84 GRIN2D (0.64) LMNAHPGDHTTL3MBTL1KMT2A
SCHEMBL2009040 0.84 GRIN2D (0.64) LMNAHPGDHTTL3MBTL1KMT2A
SCHEMBL30481109 0.84 GRIN2D (0.64) LMNAHPGDHTTL3MBTL1KMT2A
SCHEMBL2009041 0.84 GRIN2D (0.64) LMNAHPGDHTTL3MBTL1KMT2A
SCHEMBL3718733 0.80 ALDH1A1 (0.69) LMNAL3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL8692626 0.76 AMY1A (0.59) LMNAHPGDHTTL3MBTL1KMT2A
SCHEMBL18502970 0.76 AMY1A (0.59) LMNAHPGDHTTL3MBTL1KMT2A
SCHEMBL8692623 0.76 AMY1A (0.59) LMNAHPGDHTTL3MBTL1KMT2A
SCHEMBL28157680 0.75 KMT2A (0.47) LMNAHPGDHTTL3MBTL1KMT2A

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
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed