SCHEMBL7562623

SCHEMBL7562623

O=C(/C(=N\OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)P(=O)(O)S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 6/20 0.34
GAA P10253 5/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
NPSR1 Q6W5P4 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.34
AMY1A P0DUB6 4/20 0.33
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL7562629 0.89 MAPT (0.35) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL2450269 0.87 MAPT (0.45) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL2450267 0.87 MAPT (0.45) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL7764698 0.87 MAPT (0.45) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL9804837 0.86 MAPT (0.44) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL9231233 0.86 MAPT (0.44) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL9231227 0.86 MAPT (0.44) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL8903722 0.85 MAPT (0.39) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL8903717 0.85 MAPT (0.39) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL8903727 0.85 MAPT (0.39) SMN1; SMN2NPC1RAB9AMAPTGAA

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
EP-1077981-B1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LTD (KR) 2002-08-07 EP disclosed