SCHEMBL20171236

SCHEMBL20171236

Cc1ncc(-c2cccc(C(F)(F)F)c2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PARP1 P09874 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
GRIN2B Q13224 12/20 0.46
GRIN1 Q05586 11/20 0.46
BRD4 O60885 1/20 0.46
SCN2A Q99250 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
XDH P47989 1/20 0.45

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
SCHEMBL20049822 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1PARP1GAAATM
SCHEMBL17946110 0.81 EGLN1 (0.50) GRIN2BSMN1; SMN2
SCHEMBL20008281 0.80 GRIN2B (0.52) ALDH1A1L3MBTL1PARP1GAAATM
SCHEMBL11483670 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1PARP1GAAATM
SCHEMBL1420984 0.77 PIN1 (0.56) ALDH1A1PARP1GRIN2BGRIN1SMN1; SMN2
SCHEMBL10647000 0.77 KDM4E (0.51) ALDH1A1GAASMN1; SMN2
SCHEMBL8274248 0.76 GRIN1 (0.56) ALDH1A1L3MBTL1PARP1GAAATM
SCHEMBL22239384 0.76 ALOX5 (0.56) GRIN2BGRIN1SMN1; SMN2
SCHEMBL28307674 0.76 SCN2A (0.48) ALDH1A1L3MBTL1PARP1GAAATM
SCHEMBL27295912 0.75 AGBL2 (0.46) ALDH1A1L3MBTL1GAASMN1; 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-3357911-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE Akebia Therapeutics Inc. (US) 2018-08-08 EP disclosed
EP-3323807-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE Akebia Therapeutics, Inc. (US) 2018-05-23 EP disclosed