SCHEMBL5335435

SCHEMBL5335435

CCOC(=O)c1c(O)c2cc(F)ccc2n(CCC2CCCC2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.49
CYP2C9 P11712 3/20 0.47
NR1I2 O75469 1/20 0.47
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HIF1A Q16665 1/20 0.43
ALOX5 P09917 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL5330885 0.99 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5332751 0.97 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5330384 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL31329665 0.80 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5529472 0.80 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5334103 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL8247183 0.80 HIF1A (0.62) CYP2C9NR1I2HIF1A
SCHEMBL7078510 0.79 CYP2C9 (0.52) ALDH1A1SMN1; SMN2CYP2C9NR1I2HIF1A
SCHEMBL8245604 0.79 HIF1A (0.61) CYP2C9NR1I2HIF1A
SCHEMBL5329339 0.78 KDM4E (0.61) ALDH1A1SMN1; SMN2KDM4ELMNAHTT

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
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed