SCHEMBL4093082

SCHEMBL4093082

O=c1[nH]cc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.48
GAA P10253 2/20 0.46
CCKBR P32239 1/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
NOTUM Q6P988 1/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL17819292 0.80 CYP1A2 (0.60) CYP1A2ALDH1A1HTTGAAKMT2A
SCHEMBL4232792 0.80 ALDH1A1 (0.65) CYP1A2ALDH1A1HPGDLMNAKDM4E
SCHEMBL5757614 0.77 NOTUM (0.56) CYP1A2ALDH1A1HPGDHTTGAA
SCHEMBL29223912 0.76 CYP1A2 (0.61) CYP1A2ALDH1A1HTTGAAKMT2A
SCHEMBL11608471 0.74 KMT2A (0.60) ALDH1A1HPGDLMNAHTTGAA
SCHEMBL5930954 0.74 PLA2G10 (0.50) CYP1A2HTTGAACCKBRKMT2A
SCHEMBL17537376 0.73 CYP1A2 (0.58) CYP1A2ALDH1A1HTTGAAKMT2A
SCHEMBL15353284 0.73 PLA2G10 (0.59) CYP1A2ALDH1A1HPGDKMT2ANOTUM
SCHEMBL11125616 0.73 ALDH1A1 (0.51) ALDH1A1HPGDLMNAKDM4EGAA
SCHEMBL4059567 0.72 ALDH1A1 (0.52) CYP1A2ALDH1A1HPGDLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
EP-0051829-B1 N-SUBSTITUTED OMEGA-(2-OXO-4-IMIDAZOLIN-1-YL) ALCANOIC ACIDS, SALTS AND ESTERS THEREOF, PROCESS FOR PRODUCING THE SAME AND THESE ACTIVE AGENTS CONTAINING PHARMACEUTICAL COMPOUNDS A. Nattermann & Cie. GmbH (DE) 1984-12-05 EP disclosed
US-4349684-A ANTIALLERGENS, ANTIASTHMATICS A. NATTERMANN & CIE GMBH (DE) 1982-09-14 US disclosed
EP-0051829-A1 N-substituted omega-(2-oxo-4-imidazolin-1-yl) alcanoic acids, salts and esters thereof, process for producing the same and these active agents containing pharmaceutical compounds A. Nattermann & Cie. GmbH (DE) 1982-05-19 EP disclosed