SCHEMBL14744504

SCHEMBL14744504

Nc1ccc(-c2ccccc2OC(F)(F)F)c(N2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.43
GAA P10253 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KEAP1 Q14145 1/20 0.40
CNR2 P34972 1/20 0.39
THRB P10828 2/20 0.39
NR4A1 P22736 1/20 0.39
PTK2B Q14289 1/20 0.39
HTT P42858 3/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HPGD P15428 1/20 0.38
NR1I2 O75469 1/20 0.38
SMARCA2 P51531 1/20 0.38

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
SCHEMBL2968786 0.83 ALDH1A1 (0.50) S1PR1ALDH1A1POLBGAAMAPT
SCHEMBL2979005 0.82 ALDH1A1 (0.47) S1PR1ALDH1A1POLBGAAMAPT
SCHEMBL14746702 0.81 ALOX5AP (0.39) ALDH1A1KDM4EALOX5APFEN1SCN9A
SCHEMBL14744381 0.79 GAA (0.49) S1PR1ALDH1A1POLBGAAMAPT
SCHEMBL14747148 0.79 SCN10A (0.41) ALOX5APFEN1SCN9ASCN10AKCNN4
SCHEMBL22668889 0.75 MAPT (0.54) S1PR1GAAMAPTKDM4EKEAP1
SCHEMBL24032682 0.75 POLB (0.62) S1PR1POLBGAAMAPTKDM4E
SCHEMBL14744245 0.75 RORC (0.45) POLBALOX5APFEN1SCN9ASCN10A
SCHEMBL30320923 0.75 POLB (0.62) S1PR1POLBGAAMAPTKDM4E
SCHEMBL30321020 0.75 RORC (0.45) POLBALOX5APFEN1SCN9ASCN10A

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed