SCHEMBL15909113

SCHEMBL15909113

O=C(OCc1cc(=O)n2nc(C(F)(F)F)c(-c3cccs3)c2[nH]1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 17/20 0.36
MAPT P10636 15/20 0.36
RXFP1 Q9HBX9 4/20 0.36
LMNA P02545 4/20 0.36
THRB P10828 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL15908924 0.84 ARF6 (0.42) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL15909027 0.84 POLB (0.41) POLBMAPTRXFP1LMNATHRB
SCHEMBL15908944 0.84 HTT (0.39) POLBMAPTRXFP1LMNATHRB
SCHEMBL1279401 0.83 ARF6 (0.36) MAPTRXFP1LMNAKDM4EALDH1A1
SCHEMBL15926361 0.82 HCAR2 (0.35) MAPTKDM4EALDH1A1GAAGABRA1
SCHEMBL15908945 0.82 ARF6 (0.45) MAPTLMNATHRBKDM4EALDH1A1
SCHEMBL15926359 0.80 KDM4E (0.35) POLBMAPTLMNAKDM4EALDH1A1
SCHEMBL1279265 0.78 SMN1; SMN2 (0.41) RXFP1LMNAKDM4EALDH1A1GAA
SCHEMBL1279212 0.78 ADORA2A (0.35) POLBMAPTKDM4EALDH1A1GAA
SCHEMBL1278649 0.78 KDM4E (0.39) POLBMAPTRXFP1LMNAKDM4E

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
US-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed