SCHEMBL1972185

SCHEMBL1972185

N#Cc1nccc(F)c1O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 2/20 0.33
PLCG1 P19174 1/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
ERBB2 P04626 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
KMT2A Q03164 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
SCHEMBL7788094 0.78 PLCG1 (0.33) PLCG1KDM4CKDM4EMEN1ALDH1A1
SCHEMBL12498325 0.78 EGLN2 (0.36) EGLN2IDO1TDO2PLCG1ERBB2
SCHEMBL11041531 0.75 KDM4E (0.36) EGLN2IDO1TDO2ERBB2KDM4E
SCHEMBL17416894 0.75 MEN1 (0.39) PLCG1ERBB2KDM4EMEN1ALDH1A1
SCHEMBL30527748 0.75 MEN1 (0.39) PLCG1ERBB2KDM4EMEN1ALDH1A1
SCHEMBL4385911 0.75 ALDH1A1 (0.36) EGLN2PLCG1ERBB2ALDH1A1GAA
SCHEMBL28432011 0.71 EGLN2 (0.36) EGLN2KDM4CKDM4EMEN1ALDH1A1
SCHEMBL30630762 0.71 PLCG1 (0.36) EGLN2IDO1PLCG1ALOX5APFEN1
SCHEMBL17416877 0.71 ALDH1A1 (0.42) PLCG1KDM4EMEN1ALDH1A1GAA
SCHEMBL16238340 0.71 CCR1 (0.41) IDO1PLCG1KDM4EMEN1ALDH1A1

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-1668021-B1 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS FOURNIER LAB SA (FR) 2011-06-22 EP disclosed