SCHEMBL8610030

SCHEMBL8610030

[O]c1cc(C2=NC[C@@H](c3ccccc3)O2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAOB P27338 7/20 0.35
TSHR P16473 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
NCOR2 Q9Y618 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
IMPDH2 P12268 1/20 0.32
PLK1 P53350 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
AR P10275 2/20 0.31
CYP19A1 P11511 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL27907032 0.79 ALDH1A1 (0.51) ATMSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL1548278 0.77 ALDH1A1 (0.54) ATMSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL8610059 0.76 ALOX5AP (0.38) ATMSMN1; SMN2ALDH1A1HPGDIMPDH2
SCHEMBL8539618 0.75 ATM (0.52) ATMSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL8539615 0.75 ATM (0.52) ATMSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL31158568 0.75 TSHR (0.50) ATMSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL34460861 0.75 TSHR (0.50) ATMSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL31470947 0.74 ALDH1A1 (0.43) ATMSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL13885660 0.73 ALDH1A1 (0.51) ATMSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL31470938 0.73 MAOB (0.45) ATMSMN1; SMN2ALDH1A1HPGDMAOB

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-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed