SCHEMBL5644579

SCHEMBL5644579

COC(=O)c1cc(OC)ccc1Nc1ccnn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.49
ADORA1 P30542 3/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL5007752 0.92 GFER (0.55) GFERADORA1ADORA2AADORA2BKDM4E
SCHEMBL5005304 0.91 GFER (0.48) GFERADORA1ADORA2AADORA2BKDM4E
SCHEMBL5011968 0.91 GFER (0.46) GFERADORA1ADORA2AADORA2BKDM4E
SCHEMBL5005306 0.89 TDP1 (0.48) GFERADORA1ADORA2AADORA2BKDM4E
SCHEMBL5010645 0.88 KMT2A (0.52) GFERADORA1ADORA2AADORA2BKDM4E
SCHEMBL5640287 0.88 GFER (0.43) GFERADORA1ADORA2AADORA2BKDM4E
SCHEMBL5005348 0.86 GFER (0.56) GFERADORA1ADORA2AADORA2BKDM4E
SCHEMBL5641025 0.86 GFER (0.56) GFERKDM4ERAB9ANPC1MAPT
SCHEMBL5007723 0.85 KMT2A (0.45) GFERADORA1ADORA2AADORA2BKDM4E
SCHEMBL5008503 0.84 MAPT (0.51) NPC1MAPTSMN1; SMN2MEN1KMT2A

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
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US disclosed