SCHEMBL7501392

SCHEMBL7501392

O=C1CCCc2cc(OS(=O)(=O)C(F)(F)F)c(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 13/20 0.38
MAOB P27338 13/20 0.38
PTGS2 P35354 2/20 0.36
PRKCI P41743 1/20 0.36
GRM5 P41594 1/20 0.34
HSD17B1 P14061 2/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL29600467 0.97 MAOA (0.38) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL24362492 0.97 MAOA (0.38) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL29600396 0.82 MAOA (0.38) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL24362288 0.82 MAOA (0.38) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL315565 0.78 MAOB (0.55) MAOAMAOBPRKCIGRM5HSD17B1
SCHEMBL1513290 0.77 MAOA (0.53) MAOAMAOBCYP2A6
SCHEMBL11461839 0.76 HSD17B1 (0.49) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL30558410 0.76 HSD17B1 (0.49) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL1027802 0.76 MAOB (0.37) MAOBPTGS2
SCHEMBL15205858 0.76 MAOB (0.39) NPSR1MAOAMAOBGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721942-B1 TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 2002-06-05 EP disclosed
US-5646283-A IMMUNOSUPPRESSANTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-08 US disclosed
EP-0721942-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-07-17 EP disclosed