SCHEMBL4376433

SCHEMBL4376433

CCOc1ccnc(F)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TUBB1 Q9H4B7 3/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
CYP1A1 P04798 1/20 0.35

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
SCHEMBL4375741 0.84 GAK (0.38) SMN1; SMN2SYKCYP1A2CYP2D6CYP2C19
SCHEMBL9833682 0.79 HPGD (0.46) HPGDSMN1; SMN2SYKMEN1KMT2A
SCHEMBL27863553 0.76 SMN1; SMN2 (0.43) HPGDSMN1; SMN2SYKMEN1KMT2A
SCHEMBL7850340 0.76 HPGD (0.46) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9834103 0.75 SMN1; SMN2 (0.46) HPGDSMN1; SMN2SYKMEN1KMT2A
SCHEMBL2035810 0.72 L3MBTL1 (0.53) SMN1; SMN2MEN1KMT2ATUBB1MAPT
SCHEMBL17506245 0.72 SMN1; SMN2 (0.55) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4375376 0.71 TUBB1 (0.39) HPGDSMN1; SMN2SYKMEN1KMT2A
SCHEMBL2416876 0.71 HPGD (0.42) HPGDSMN1; SMN2KMT2AL3MBTL1CA12
SCHEMBL19612335 0.71 ALDH1A1 (0.50) SMN1; SMN2SYKMEN1KMT2ATUBB1

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
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed