SCHEMBL11084457

SCHEMBL11084457

CCOC(=O)CO/N=C(/C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
GAA P10253 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 5/20 0.45
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PARP1 P09874 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL11084461 1.00 MAPT (0.46) MAPTMEN1KMT2AGAATDP1
SCHEMBL6051612 0.91 MAPT (0.47) MAPTMEN1KMT2AGAATDP1
SCHEMBL6051613 0.91 MAPT (0.47) MAPTMEN1KMT2AGAATDP1
SCHEMBL6051393 0.91 MAPT (0.46) MAPTMEN1KMT2AGAATDP1
SCHEMBL6051390 0.91 MAPT (0.46) MAPTMEN1KMT2AGAATDP1
SCHEMBL8527292 0.91 MAPT (0.46) MAPTMEN1KMT2AGAATDP1
Hydrochloric Acid SCHEMBL10696662 0.91 MAPT (0.46) MAPTMEN1KMT2AGAATDP1
SCHEMBL9021401 0.91 CA12 (0.40) MAPTMEN1KMT2AGAATDP1
SCHEMBL9021411 0.91 CA12 (0.40) MAPTMEN1KMT2AGAATDP1
SCHEMBL9699589 0.88 MAPT (0.44) MAPTMEN1KMT2AGAATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4386210-A CEPHALOSPORIN ANTIBIOTICS ROUSSEL UCLAF (FR) 1983-05-31 US claimed
US-4487937-A CEPHALOSPORIN INTERMETIATE ROUSSEL UCLAF (FR) 1984-12-11 US disclosed
US-4483981-A ANTIBIOTICS, BACTERICIDES ROUSSEL UCLAF (FR) 1984-11-20 US disclosed
US-4386210-A CEPHALOSPORIN ANTIBIOTICS ROUSSEL UCLAF (FR) 1983-05-31 US disclosed
US-4288434-A Cephalosporanic acid derivatives ROUSSEL UCLAF (FR) 1981-09-08 US disclosed