SCHEMBL6615432

SCHEMBL6615432

COC(=O)Cc1ccc(S(=O)(=O)O)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.38
VCAM1 P19320 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 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
Potassium Ion SCHEMBL7501745 0.92 ALDH1A1 (0.38) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7492970 0.84 NR4A1 (0.37) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6616108 0.80 AURKA (0.44) ALDH1A1GAA
SCHEMBL8318831 0.77 KDM4E (0.43) MAPTSMN1; SMN2
SCHEMBL6616007 0.76 KDM4E (0.42) MAPTSMN1; SMN2
SCHEMBL11154939 0.74 AURKA (0.46) ALDH1A1NPC1RAB9AF2PRSS1
SCHEMBL6618259 0.73 TDP1 (0.44) ALDH1A1MEN1MAPTKMT2AAKR1C4
SCHEMBL6613577 0.73 TDP1 (0.44) ALDH1A1MEN1MAPTKMT2AAKR1C4
SCHEMBL29923859 0.72 MEN1 (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL908565 0.72 MEN1 (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906313-B1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2004-03-03 EP disclosed
EP-1032384-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6271222-B1 ANTIBIOTIC MERCK & CO., INC. 2001-08-07 US disclosed
US-6235898-B1 CARBAPENEMS ARE SUBSTITUTED AT THE 2-POSITION WITH 1,8-NAPHTHOSULTAM-N-METHYL GROUPS MERCK & CO., INC. 2001-05-22 US disclosed
US-6207823-B1 ANTIBIOTIC; ANTIBIOTIC RESISTANT INFECTIONS MERCK & CO., INC. 2001-03-27 US disclosed
EP-1032384-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-09-06 EP disclosed
US-6048978-A Process for the synthesis of carbapenem intermediates, and compounds produced MERCK & CO., INC. (US) 2000-04-11 US disclosed
US-5994343-A ANTIBIOTICS MERCK & CO., INC. (US) 1999-11-30 US disclosed
WO-1999020270-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
US-5756725-A CARBAPENEM NUCLEUS IS SUBSTITUTED AT THE 2-POSITION WITH A NAPHTHOSULTAM LINKED THROUGH A CH2 GROUP MERCK & CO., INC. (US) 1998-05-26 US disclosed