SCHEMBL13722986

SCHEMBL13722986

N#Cc1cc(-c2nccc(C(=O)O)c2F)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ASPH Q12797 1/20 0.42
▸ KDM8 Q8N371 1/20 0.42
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ XDH P47989 5/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SYK P43405 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
SCHEMBL13004322 0.84 XDH (0.48) KDM4EASPHKDM8RXFP1XDH
SCHEMBL16313328 0.82 KDM4E (0.40) KDM4EASPHKDM8MAP3K5XDH
SCHEMBL13723419 0.80 KDM4E (0.45) KDM4EASPHKDM8KMT2AMAP3K5
SCHEMBL14184585 0.78 XDH (0.45) XDH
SCHEMBL14384228 0.78 XDH (0.52) KDM4EKMT2AXDH
SCHEMBL4453345 0.74 XDH (0.35) KDM4EASPHKDM8MAP3K5XDH
SCHEMBL22245628 0.73 KDM4E (0.56) KDM4EASPHKDM8KMT2ATDP1
SCHEMBL26036572 0.73 KMO (0.62) KDM4EASPHKDM8
SCHEMBL2657725 0.70 CYP11B2 (0.45) KDM4ERXFP1HDAC1TDP1
SCHEMBL13545903 0.69 KDM4E (0.51) KDM4EKMT2AXDHTDP1

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
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 — — EP disclosed
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