SCHEMBL7562629

SCHEMBL7562629

O=C(C(=NOC(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
MAPT P10636 7/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
GAA P10253 5/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
AMY1A P0DUB6 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL7562623 0.89 SMN1; SMN2 (0.35) MAPTMEN1KMT2AGAANPSR1
SCHEMBL2450267 0.88 MAPT (0.45) MAPTMEN1KMT2AGAANPSR1
SCHEMBL2450269 0.88 MAPT (0.45) MAPTMEN1KMT2AGAANPSR1
SCHEMBL7764698 0.88 MAPT (0.45) MAPTMEN1KMT2AGAANPSR1
SCHEMBL9231227 0.87 MAPT (0.44) MAPTMEN1KMT2AGAANPSR1
SCHEMBL9231233 0.87 MAPT (0.44) MAPTMEN1KMT2AGAANPSR1
SCHEMBL9804837 0.87 MAPT (0.44) MAPTMEN1KMT2AGAANPSR1
SCHEMBL8903722 0.86 MAPT (0.39) MAPTMEN1KMT2AGAANPSR1
SCHEMBL8903717 0.86 MAPT (0.39) MAPTMEN1KMT2AGAANPSR1
SCHEMBL8903727 0.86 MAPT (0.39) MAPTMEN1KMT2AGAANPSR1

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