SCHEMBL6950744

SCHEMBL6950744

COc1cc(O)c2c(=O)oc(C#N)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.45
ANTXR2 P58335 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
EED O75530 1/20 0.44
ALOX5 P09917 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44
CBR1 P16152 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
POLK Q9UBT6 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41

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
SCHEMBL6945838 0.80 MAOA (0.42) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL5079030 0.79 ANTXR2 (0.71) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL6345040 0.75 MAOA (0.46) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL6945650 0.75 MEN1 (0.48) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL9467855 0.75 MAOA (0.46) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL29361626 0.75 MAOA (0.46) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL31086523 0.74 MAOA (0.45) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL6946660 0.74 MAOA (0.45) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL3191297 0.72 MEN1 (0.45) MAOAANTXR2MEN1KMT2ASLC22A2
SCHEMBL6352501 0.72 RECQL (0.45) MAOAANTXR2MEN1KMT2ASLC22A2

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-0930310-B1 ISOCOUMARIN DERIVATIVES AND USE THEREOF IN DRUGS MERCIAN CORP (JP) 2003-03-26 EP disclosed
US-6020363-A IMMUNOLOGY MODERATORS, ANTICANCER AGENTS MERCIAN CORPORATION (JP) 2000-02-01 US disclosed
EP-0930310-A1 ISOCOUMARIN DERIVATIVES AND USE THEREOF IN DRUGS MERCIAN CORPORATION (JP) 1999-07-21 EP disclosed