SCHEMBL6294273

SCHEMBL6294273

CSc1ccc(-c2cncn2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPK14 Q16539 2/20 0.40
CRBN Q96SW2 1/20 0.40
LDLR P01130 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
PTGS2 P35354 5/20 0.38
ALDH1A3 P47895 1/20 0.38
IDO1 P14902 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTGS1 P23219 3/20 0.36
HPGDS O60760 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL6291171 0.86 HSP90AA1 (0.45) HSP90AA1HSP90AB1MAPK14CRBNMAPK13
SCHEMBL6294332 0.85 MAPK14 (0.54) HSP90AA1HSP90AB1MAPK14MAPK13MAPK12
SCHEMBL12676747 0.83 CYP11B1 (0.50) FGFR1HSP90AA1HSP90AB1MAPK14CRBN
SCHEMBL6291235 0.80 PTGS2 (0.59) PTGS2IDO1PTGS1
SCHEMBL15209053 0.78 LDLR (0.43) FGFR1CRBNLDLRPCSK9PTGS2
SCHEMBL28534427 0.76 MAPT (0.50) FGFR1HSP90AA1HSP90AB1MAPK14CRBN
SCHEMBL15464625 0.75 CRBN (0.43) HSP90AA1HSP90AB1MAPK14CRBNLDLR
SCHEMBL27989478 0.73 CYP11B1 (0.49) HSP90AA1HSP90AB1CRBNLDLRPCSK9
SCHEMBL13790977 0.73 MEN1 (0.49) FGFR1
SCHEMBL19953049 0.72 CYP11B1 (0.58) FGFR1HSP90AA1HSP90AB1CRBNLDLR

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
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US disclosed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP disclosed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP disclosed