SCHEMBL14049302

SCHEMBL14049302

On1cc(I)c2cc(N3CCOCC3)cnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.37
POLB P06746 2/20 0.36
AKR1C3 P42330 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CNR2 P34972 1/20 0.34
LMNA P02545 2/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PRKDC P78527 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL13745998 0.83 BRD4 (0.45) ACVR1POLBL3MBTL1METMAPT
SCHEMBL18891808 0.83 ACVR1 (0.37) ACVR1POLBAKR1C3L3MBTL1MET
SCHEMBL22403202 0.79 ACVR1 (0.37) ACVR1POLBMETMAPTALDH1A1
SCHEMBL25970829 0.79 BRD4 (0.42) ACVR1POLBL3MBTL1METMAPT
SCHEMBL13753992 0.75 KDR (0.53) ACVR1METLRRK2KDRACVR1B
SCHEMBL1488055 0.74 BRD4 (0.54) ACVR1L3MBTL1ALDH1A1SMN1; SMN2PIK3CA
SCHEMBL18891807 0.73 BRD4 (0.48) L3MBTL1METMAPTALDH1A1SMN1; SMN2
SCHEMBL13745644 0.71 ACVR1 (0.38) ACVR1AKR1C3L3MBTL1MAPTALDH1A1
SCHEMBL1487564 0.70 MAP4K1 (0.47) METLRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL20503865 0.70 BRD4 (0.45) ACVR1L3MBTL1METMAPTALDH1A1

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-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed