SCHEMBL27786388

SCHEMBL27786388

COc1nc(-c2ccc[nH]2)cc(-c2ccco2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17335791 0.77 MAPT (0.43) MEN1KMT2AMAPTTSHRATM
SCHEMBL18807015 0.77 PDE10A (0.45) MEN1KMT2AMAPTTSHRATM
SCHEMBL23162725 0.76 MAPT (0.42) MEN1KMT2AMAPTTSHRATM
SCHEMBL15921756 0.70 KDM4E (0.53) MEN1KMT2AMAPTPDE10AALDH1A1
SCHEMBL1529975 0.70 MEN1 (0.47) MEN1KMT2AMAPTTSHRPDE10A
SCHEMBL11272349 0.68 KDM4E (0.41) MEN1KMT2AMAPTPDE10AALDH1A1
SCHEMBL18812374 0.68 POLB (0.52) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6251117 0.67 ADORA2A (0.72) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL30353576 0.64 ALDH1A1 (0.58) MAPTADORA3ALDH1A1KDM4ERAB9A
SCHEMBL863223 0.64 ADORA2A (0.42) ADORA2APDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1942469-B Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB 2010-07-07 — — CN disclosed
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