SCHEMBL27955985

SCHEMBL27955985

O=C1CCCN1c1ccccc1C(F)F.O=S(=O)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
AKR1C3 P42330 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
GFER P55789 1/20 0.36
TSHR P16473 1/20 0.36
STAT3 P40763 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1770287 0.80 TP53 (0.38) TP53L3MBTL1ALOX5APFEN1KDM4E
SCHEMBL13712974 0.77 ALOX15 (0.50) TP53ALOX5APFEN1HSD17B10GFER
SCHEMBL1771075 0.74 TP53 (0.40) TP53L3MBTL1ALOX5APFEN1KDM4E
SCHEMBL1023898 0.73 L3MBTL1 (0.61) TP53L3MBTL1KMT2ALMNAMEN1
SCHEMBL27955975 0.73 MEN1 (0.43) TP53L3MBTL1KMT2AMEN1
SCHEMBL12545906 0.73 ALOX15 (0.49) TP53HSD17B10GFER
SCHEMBL28334325 0.73 TP53 (0.47) TP53L3MBTL1KDM4EGAAKMT2A
SCHEMBL1770648 0.72 F2 (0.42) TP53L3MBTL1KDM4EGAAKMT2A
SCHEMBL22997585 0.72 HSD17B10 (0.44) TP53L3MBTL1ALOX5APFEN1KDM4E
SCHEMBL3770108 0.72 MEN1 (0.63) TP53ALOX5APFEN1KMT2AMEN1

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
CN-102015675-B Chlorothiophene-amides as inhibitors of coagulation factors Xa and thrombin SANOFI AVENTIS 2014-07-02 CN disclosed