SCHEMBL9450964

SCHEMBL9450964

O=C(O)c1cccc2c1oc1cc(Br)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GPR35 Q9HC97 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
PIM1 P11309 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTPRF P10586 7/20 0.42
PTPN2 P17706 7/20 0.42
PTPN1 P18031 7/20 0.42
TTR P02766 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9654588 0.87 MAOA (0.48) MEN1KMT2AGPR35RXFP1GRIN1
SCHEMBL783749 0.80 NR4A1 (0.50) GPR35KDM4EGLACA12CA2
SCHEMBL20793652 0.79 GPR35 (0.51) MEN1KMT2AGPR35KDM4EGLA
SCHEMBL69699 0.78 NR4A1 (0.54) GPR35KDM4ECA12CA2CA9
SCHEMBL9652760 0.78 MAOA (0.54) KDM4EPIM1
SCHEMBL18165289 0.77 ALOX5 (0.55) MEN1KMT2AGPR35RXFP1GRIN1
SCHEMBL27800011 0.77 MAPT (0.58) MEN1KMT2AGPR35CA12CA9
SCHEMBL30829289 0.77 LOXL2 (0.41) MEN1KMT2AKDM4EPIM1
SCHEMBL3879946 0.77 LOXL2 (0.41) MEN1KMT2AKDM4EPIM1
SCHEMBL23407543 0.74 DYRK1A (0.38) MEN1KMT2AKDM4EPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5240920-A 2-(substituted-dibenzofuranyl and dibenzothienyl) carbapenem antibacterial agents MERCK & CO., INC. (US) 1993-08-31 US disclosed
US-5151512-A Bactericides MERCK & CO., INC. (US) 1992-09-29 US disclosed
US-5132420-A INTERMEDIATES FOR PREPARING 2-(SUBSTITUTED-DIBENZO-FURANYL AND DIBENZOTHIENYL) CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1992-07-21 US disclosed
EP-0480715-A1 Intermediates for preparing 2-(substituted-dibenzofuranyl and dibenzothienyl) carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-15 EP disclosed
EP-0480712-A1 2-(substituted-dibenzofuranyl and dibenzothienyl) carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-15 EP disclosed
EP-0405774-A1 2-(substituted-dibenzofuranyl and dibenzothienyl)carbapenem antibacterial agents MERCK & CO. INC. (US) 1991-01-02 EP disclosed