SCHEMBL9362452

SCHEMBL9362452

Cc1ccc(NCCCC(F)(F)Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
HTT P42858 3/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
BLM P54132 1/20 0.37
PLEC Q15149 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9365774 0.83 RHOC (0.49) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL9362324 0.83 MAPT (0.39) MAPTALDH1A1
SCHEMBL9362136 0.81 GAA (0.61) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11518048 0.80 MAPT (0.80) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL1947222 0.76 MAPT (0.67) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL9362990 0.75 RNF4 (0.45) MAPTHTTKMT2AALDH1A1GAA
SCHEMBL2065837 0.75 MAPT (1.00) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL13639541 0.74 MAPT (0.70) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL1485752 0.74 MAPT (0.70) MAPTHTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL15329323 0.73 MAPT (0.94) MAPTHTTMEN1KMT2AALDH1A1

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-0413666-B1 Butyric acid derivatives CIBA GEIGY AG (CH) 1994-04-13 EP claimed