SCHEMBL28065360

SCHEMBL28065360

COc1cncc(C(=O)OF)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSNK1E P49674 1/20 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
SCHEMBL1439962 0.85 ATM (0.65) ATMMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL31014408 0.82 MKNK1 (0.50) ATMMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL28244717 0.82 ATM (0.47) ATMMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL28065464 0.81 MKNK2 (0.49) ATMMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL30240892 0.79 HCAR2 (0.57) MKNK1MKNK2TDP1KMT2ACYP2C9
SCHEMBL3209723 0.79 CYP11B1 (0.58) ATMMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL186386 0.79 HCAR2 (0.57) MKNK1MKNK2TDP1KMT2ACYP2C9
SCHEMBL2201266 0.79 CYP2C19 (0.66) ATMMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL27775552 0.79 KDM4E (0.50) ATMKMT2A
SCHEMBL9448469 0.78 MKNK1 (0.66) MKNK1MKNK2CYP11B1CYP11B2TDP1

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
CN-105593224-A Novel quinazolinones as bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-05-18 CN disclosed