SCHEMBL9021401

SCHEMBL9021401

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
GAA P10253 5/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 7/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9021411 1.00 CA12 (0.40) CA12CA1CA2CA9GAA
SCHEMBL10542790 0.91 MAPT (0.43) CA12CA1CA2CA9GAA
SCHEMBL10542795 0.91 MAPT (0.43) CA12CA1CA2CA9GAA
SCHEMBL11084457 0.91 MAPT (0.46) GAALMNAMAPTMEN1KMT2A
SCHEMBL11084461 0.91 MAPT (0.46) GAALMNAMAPTMEN1KMT2A
SCHEMBL38664227 0.88 MAPT (0.41) CA12CA1CA2CA9GAA
SCHEMBL6051613 0.87 MAPT (0.47) GAALMNAMAPTMEN1KMT2A
SCHEMBL8683544 0.87 MAPT (0.44) CA12CA1CA2CA9GAA
SCHEMBL10542977 0.87 MAPT (0.44) CA12CA1CA2CA9GAA
SCHEMBL6051612 0.87 MAPT (0.47) GAALMNAMAPTMEN1KMT2A

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
WO-2017180794-A1 DEUTERATED O-SULFATED BETA-LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA-LACTAMS SKYLINE ANTIINFECTIVES, INC. (US) 2017-10-19 WO disclosed
EP-0397511-B1 Novel cephalosporin compounds and processes for preparation thereof LUCKY LTD (KR) 1996-09-04 EP disclosed
US-5202315-A Antiboiotic LUCKY, LTD. (KR) 1993-04-13 US disclosed
WO-1992008721-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF LUCKY, LTD. (KR) 1992-05-29 WO disclosed
EP-0395219-A2 Cephalosporins and their homologues, process for their preparation and pharmaceutical compositions Beecham Group p.l.c. (GB) 1990-10-31 EP disclosed