SCHEMBL9989144

SCHEMBL9989144

CCOC(=O)c1ccc(-n2nc(CCC(=O)NCc3ccccn3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MALT1 Q9UDY8 2/20 0.44
P2RX7 Q99572 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
S1PR3 Q99500 1/20 0.42
NTRK1 P04629 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KMT2A Q03164 1/20 0.40
SPR P35270 1/20 0.40
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL9988979 0.89 ADORA2A (0.43) SMN1; SMN2ALDH1A1MALT1MAPTKDM4E
SCHEMBL9988522 0.89 MALT1 (0.50) SMN1; SMN2MALT1P2RX7NTRK1LMNA
SCHEMBL9988443 0.88 NAMPT (0.44) ALDH1A1MALT1MAPTGAALMNA
SCHEMBL9989046 0.87 TP53 (0.50) ALDH1A1MALT1MAPTNTRK1LMNA
SCHEMBL9988828 0.87 MALT1 (0.45) SMN1; SMN2MALT1MAPTS1PR3LMNA
SCHEMBL9988868 0.85 MALT1 (0.44) MALT1MAPTLMNAHPGDPOLB
SCHEMBL9988364 0.85 MALT1 (0.49) MALT1HPGDKMT2ATHRB
SCHEMBL9989719 0.82 HPGD (0.48) SMN1; SMN2ALDH1A1MALT1P2RX7MAPT
SCHEMBL9988469 0.81 RAB9A (0.40) SMN1; SMN2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL9988617 0.80 MALT1 (0.43) MALT1

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