SCHEMBL3976540

SCHEMBL3976540

O=CC(=O)Oc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ATM Q13315 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 1/20 0.39
HSD11B1 P28845 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28894377 0.84 KMT2A (0.48) KMT2AATMCES2CES1KDM4E
SCHEMBL2975869 0.80 THRB (0.55) KMT2AATMCES2CES1KDM4E
SCHEMBL8858845 0.79 KMT2A (0.46) KMT2AKDM4EMEN1GAACA1
SCHEMBL57245 0.78 KMT2A (0.50) KMT2AATMCES2CES1KDM4E
SCHEMBL27495352 0.77 CYP4F2 (0.43) KMT2ACES2CES1CA1
SCHEMBL11291636 0.77 ELANE (0.46) KMT2AKDM4EMEN1GAACA1
SCHEMBL2129488 0.77 LMNA (0.61) KMT2AATMMEN1GAAALDH1A1
SCHEMBL27819405 0.77 TPMT (0.39) KMT2ACA1CA2LMNA
SCHEMBL6741501 0.77 CYP11B1 (0.47) KMT2ACES2CES1MEN1SMN1; SMN2
SCHEMBL28744273 0.77 LDHA (0.45) KMT2ACES2CES1MEN1ALDH1A1

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
EP-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed