SCHEMBL27999727

SCHEMBL27999727

CC(C)(CNC(=O)C(F)(F)F)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ACACB O00763 1/20 0.37
OGG1 O15527 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19747523 0.83 HDAC3 (0.44)
SCHEMBL16041339 0.81 OGG1 (0.40) ACACBOGG1NPC1RAB9AMEN1
SCHEMBL255667 0.81 ACACB (0.52) ACACBOGG1ALDH1A1NPC1RAB9A
SCHEMBL20087479 0.81 ALDH1A1 (0.48) EPHX2NR1H4ALDH1A1NPC1RAB9A
SCHEMBL14348621 0.79 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AHPGDPOLB
SCHEMBL21350587 0.79 KMT2A (0.43) ACACBOGG1ALDH1A1NPC1RAB9A
SCHEMBL28604460 0.78 RBP4 (0.36) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL25207178 0.75 MEN1 (0.42) OGG1NPC1RAB9AMEN1KMT2A
SCHEMBL2261328 0.74 KCNN4 (0.44)
SCHEMBL20289377 0.73 TGM2 (0.54) EPHX2NR1H4ALDH1A1HPGDPOLB

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-102834394-B Bicyclic quinolone compounds, preparation and application thereof KBP BIOSCIENCES CO LTD 2015-03-25 CN disclosed