SCHEMBL14730545

SCHEMBL14730545

CN(C)/C=N/c1nc(N=O)ncc1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 8/20 0.34
ALDH1A1 P00352 7/20 0.34
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16286399 0.79 KDM4E (0.31) L3MBTL1KDM4EALDH1A1ALOX15RECQL
SCHEMBL2034130 0.79 KDM4E (0.31) L3MBTL1KDM4EALDH1A1ALOX15RECQL
SCHEMBL12515512 0.79 KDM4E (0.31) L3MBTL1KDM4EALDH1A1ALOX15RECQL
SCHEMBL17012041 0.79 CYP1A2 (0.39) L3MBTL1KDM4EALDH1A1ALOX15RECQL
SCHEMBL13529680 0.78 SMN1; SMN2 (0.40) L3MBTL1KDM4EALDH1A1ALOX15RECQL
SCHEMBL1224326 0.78 ALOX15 (0.34) L3MBTL1KDM4EALDH1A1ALOX15RECQL
SCHEMBL1224399 0.78 ALOX15 (0.34) L3MBTL1KDM4EALDH1A1ALOX15RECQL
SCHEMBL1224327 0.78 ALOX15 (0.34) L3MBTL1KDM4EALDH1A1ALOX15RECQL
SCHEMBL13529493 0.76 L3MBTL1 (0.31) L3MBTL1KDM4E
SCHEMBL2035429 0.75 ALOX15 (0.33) L3MBTL1KDM4EALDH1A1ALOX15RECQL

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
EP-2562161-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed