SCHEMBL27871007

SCHEMBL27871007

COC(=O)c1cc(C(F)(F)F)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.41
EPHX2 P34913 1/20 0.38
MAPT P10636 2/20 0.38
CFTR P13569 2/20 0.37
HDAC4 P56524 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
MAPK14 Q16539 1/20 0.36
SDHB P21912 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL352449 0.84 ALDH1A1 (0.49) MAPTALDH1A1TSHRMAPK14TP53
SCHEMBL10146309 0.79 MAPK14 (0.43) MAPTALDH1A1HPGDTSHRMAPK14
SCHEMBL2565757 0.78 HCAR2 (0.52) EPHX2HDAC4KDM4EALDH1A1HSD17B10
SCHEMBL444734 0.78 MAPT (0.42) NOTUMMAPTKDM4EALDH1A1HSD17B10
SCHEMBL27859721 0.78 EPHX2 (0.38) EPHX2HDAC4KDM4EALDH1A1HSD17B10
SCHEMBL12076049 0.77 SCD (0.39) EPHX2MAPTHDAC4KDM4EALDH1A1
SCHEMBL27876364 0.77 HCAR2 (0.50) EPHX2HDAC4KDM4EALDH1A1HSD17B10
SCHEMBL7055336 0.76 MAPT (0.43) NOTUMMAPTKDM4EALDH1A1HSD17B10
SCHEMBL5752843 0.74 NR1H2 (0.39) NOTUMMAPTKDM4EALDH1A1MEN1
SCHEMBL4034128 0.74 HCAR2 (0.62) MAPTALDH1A1MEN1KMT2ATP53

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
CN-102686571-B tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
CN-102686571-A Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO 2012-09-19 CN disclosed