SCHEMBL27671102

SCHEMBL27671102

Nc1ccc(-c2cc(-c3ccco3)ncn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BLM P54132 1/20 0.43
SMARCA2 P51531 3/20 0.41
PBRM1 Q86U86 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP4K4 O95819 1/20 0.41
ASIC3 Q9UHC3 1/20 0.39
PDPK1 O15530 1/20 0.39
PTGS1 P23219 1/20 0.38
SMARCA4 P51532 1/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2B P29275 3/20 0.37
PIK3CD O00329 1/20 0.37
MYC P01106 1/20 0.36

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
SCHEMBL3059958 0.81 TAAR1 (0.57) MAPTKDM4EALDH1A1BLMSMARCA2
SCHEMBL27651185 0.77 KDM4E (0.47) MAPTKDM4EALDH1A1TAAR1HSD17B10
SCHEMBL1701227 0.74 PTGS1 (0.42) MAPTKDM4EALDH1A1BLMSMARCA2
SCHEMBL2646425 0.71 MAPT (0.50) MAPTKDM4EALDH1A1BLMSMARCA2
SCHEMBL27715112 0.71 MAPT (0.44) MAPTKDM4EALDH1A1BLMSMARCA2
SCHEMBL1445860 0.69 MIF (0.52) MAPTKDM4EALDH1A1BLMSMARCA2
SCHEMBL17742751 0.69 PDE10A (0.50) MAPTKDM4EALDH1A1BLMHSD17B10
SCHEMBL13472357 0.68 KMO (0.63) KDM4EALDH1A1
SCHEMBL14910966 0.67 ASIC3 (0.53) MAPTKDM4EALDH1A1BLMSMARCA2
SCHEMBL17777363 0.67 ADORA2B (0.49) MAPTKDM4EALDH1A1BLMHSD17B10

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 2 patents. 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
CN-1942469-A Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB (ES) 2007-04-04 CN disclosed