SCHEMBL4861321

SCHEMBL4861321

CC(C)(C)[Si](C)(C)OCc1cnn(-c2ccc(NC(=O)O)cc2F)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ABL1 P00519 3/20 0.33
BCR P11274 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPY2R P49146 2/20 0.33
P2RX7 Q99572 2/20 0.33
BLM P54132 1/20 0.33
SYK P43405 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
SCHEMBL13054802 0.88 PTGDR2 (0.44) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL3759916 0.81 MALT1 (0.42) MALT1NPC1RAB9AABL1BCR
SCHEMBL19306519 0.74 KLK7 (0.41) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4861330 0.73 NPY2R (0.35) NPC1RAB9AABL1BCRMAPT
SCHEMBL3764033 0.72 CALML3 (0.48) CYP3A4
SCHEMBL2799997 0.72 SMN1; SMN2 (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7843556 0.71 MGLL (0.47) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL17161617 0.71 BACE1 (0.33) NPC1RAB9AALDH1A1
SCHEMBL3753155 0.70 PSEN1 (0.37) NPC1RAB9AKMT2AALDH1A1HTT
SCHEMBL14024022 0.70 MAOB (0.42)

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-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed