SCHEMBL28111104

SCHEMBL28111104

COC(=O)N(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.43
CHRM4 P08173 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNN4 O15554 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
SCHEMBL3276086 0.83 L3MBTL1 (0.61) L3MBTL1TDP1ATMNPSR1ALDH1A1
SCHEMBL5476076 0.80 ALDH1A1 (0.31) L3MBTL1NPSR1ALDH1A1HPGDMAPT
SCHEMBL27536175 0.79 MEN1 (0.41) L3MBTL1TDP1ATMNPSR1ALDH1A1
SCHEMBL27562712 0.79 ALDH1A1 (0.50) L3MBTL1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL5696331 0.78 L3MBTL1 (0.49) L3MBTL1TDP1ATMNPSR1ALDH1A1
SCHEMBL9615375 0.78 MTNR1A (0.51) NPSR1TSHR
SCHEMBL15518610 0.78 L3MBTL1 (0.66) L3MBTL1TDP1ATMNPSR1ALDH1A1
SCHEMBL5669591 0.77 MAPT (0.44) L3MBTL1TDP1NPSR1ALDH1A1HPGD
SCHEMBL27502541 0.77 NPSR1 (0.40) L3MBTL1TDP1ATMNPSR1ALDH1A1
SCHEMBL2559709 0.77 ALDH1A1 (0.50) TDP1ALDH1A1HPGDTSHRKDM4E

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-106257976-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2016-12-28 CN disclosed