SCHEMBL4553975

SCHEMBL4553975

COc1cccc(COc2cc(N)n(C(=O)O)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAOA P21397 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.49
ALKBH1 Q13686 1/20 0.47
FFAR1 O14842 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL64295 0.88 ALKBH1 (0.43) MAOBMAPTKDM4EALDH1A1MAOA
SCHEMBL4554000 0.85 MAOB (0.43) MAOBMAPTKDM4EALDH1A1MAOA
SCHEMBL63220 0.80 NR3C2 (0.47) MAOBMAPTKDM4EALDH1A1MAOA
SCHEMBL63429 0.73 ALKBH1 (0.37) MAPTKDM4EALDH1A1ALKBH1HTT
SCHEMBL8965939 0.70 MAOB (0.55) MAOBMAPTIDO1AGXTSMN1; SMN2
SCHEMBL3117466 0.70 MAOB (0.61) MAOBMAPTMRGPRX4IDO1AGXT
SCHEMBL13263642 0.70 MAOB (0.79) MAOBMRGPRX4IDO1AGXTSMN1; SMN2
SCHEMBL3649253 0.69 MRGPRX4 (0.76) MAOBMRGPRX4ALKBH1SMN1; SMN2TP53
SCHEMBL31083932 0.69 MMP1 (0.59) MAOBMAPTKDM4EALDH1A1MAOA
Hydrochloric Acid SCHEMBL4431437 0.69 MAOB (0.55) MAOBMAPTIDO1AGXTSMN1; SMN2

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
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed