SCHEMBL28019641

SCHEMBL28019641

O=C(NCc1ccccc1)OC1CCCC(F)(F)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.48
KCNA3 P22001 1/20 0.47
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HPGD P15428 3/20 0.45
EPHX1 P07099 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL28019638 0.87 BCHE (0.55) BCHEKCNA3HPGDMAPK1EPHX2
SCHEMBL27742584 0.82 F2 (0.63) BCHEKCNA3F2PRSS1HDAC3
SCHEMBL27652150 0.82 HDAC3 (0.60) BCHEKCNA3F2PRSS1HDAC3
SCHEMBL27630590 0.81 HDAC3 (0.62) BCHEKCNA3F2PRSS1HDAC3
SCHEMBL27810920 0.79 BCHE (0.61) BCHEKCNA3F2PRSS1HDAC3
SCHEMBL562869 0.78 KCNA3 (0.56) BCHEKCNA3F2PRSS1HDAC3
SCHEMBL21547578 0.77 EPHX1 (0.61) BCHEEPHX1ALDH1A1
SCHEMBL28019643 0.76 BCHE (0.49) BCHEKCNA3F2PRSS1HDAC3
SCHEMBL4147717 0.76 GAA (0.51) EPHX2
SCHEMBL28896375 0.74 F2 (0.51) BCHEKCNA3F2PRSS1HDAC3

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-104640856-A Carbazole-containing sulfonamides as cryptochrome modulators RESET THERAPEUTICS INC 2015-05-20 CN disclosed