SCHEMBL9989046

SCHEMBL9989046

COc1ccc(-n2nc(CCC(=O)NCc3ccccn3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
MALT1 Q9UDY8 2/20 0.47
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SLC16A3 O15427 4/20 0.44
SLC16A1 P53985 3/20 0.44
MCTS1 Q9ULC4 2/20 0.44
NTRK1 P04629 2/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL9988308 0.91 MALT1 (0.55) TP53ALDH1A1MAPTRXRARXRB
SCHEMBL9989656 0.89 MALT1 (0.53) TP53ALDH1A1MAPTRXRARXRB
SCHEMBL9988522 0.88 MALT1 (0.50) RXRARXRBRXRGMALT1LMNA
SCHEMBL9990141 0.88 RXRA (0.51) TP53MAPTRXRARXRBRXRG
SCHEMBL9989144 0.87 SMN1; SMN2 (0.49) ALDH1A1MAPTMALT1LMNAKMT2A
SCHEMBL9990096 0.86 LMNA (0.47) TP53ALDH1A1RXRARXRBRXRG
SCHEMBL9990250 0.86 RXRA (0.51) TP53MAPTRXRARXRBRXRG
SCHEMBL9988515 0.86 MC4R (0.53) TP53RXRARXRBRXRGMALT1
SCHEMBL9988490 0.86 LMNA (0.49) TP53ALDH1A1MAPTRXRARXRB
SCHEMBL9988891 0.85 RXRA (0.49) TP53RXRARXRBRXRGMALT1

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed