SCHEMBL2859079

SCHEMBL2859079

CCCc1c(OC(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 6/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.46
ABCB1 P08183 1/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.42
DGAT1 O75907 1/20 0.42

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
SCHEMBL2850371 0.92 MAPT (0.72) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2852672 0.90 MAPT (0.60) MAPTALDH1A1RAB9APOLBMAPK1
SCHEMBL2860462 0.85 MAPT (0.55) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2853491 0.85 ALDH1A1 (0.55) MAPTALDH1A1RAB9APOLBMAPK1
SCHEMBL2857236 0.85 MAPT (0.54) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2852439 0.84 MAPT (0.56) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL2856552 0.84 MAPT (0.53) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2857246 0.83 MAPT (0.57) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL2852391 0.83 MAPT (0.52) MAPTALDH1A1RAB9APOLBLMNA
SCHEMBL2856261 0.82 MAPT (0.56) MAPTALDH1A1RAB9APOLBMAPK1

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed