SCHEMBL2854529

SCHEMBL2854529

CC(c1ccccc1)N(Cc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SPR P35270 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CCR1 P32246 4/20 0.42
PTPN1 P18031 2/20 0.42
GPR6 P46095 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCB1 P08183 1/20 0.39
CXCR3 P49682 1/20 0.39

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
SCHEMBL2850211 0.85 MAPT (0.49) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854321 0.84 MAPT (0.53) MAPTPOLBSMN1; SMN2SPRALDH1A1
SCHEMBL2854667 0.82 ALDH1A1 (0.55) MAPTPOLBSMN1; SMN2SPRALDH1A1
SCHEMBL2862087 0.79 MAPT (0.51) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2857362 0.76 ALDH1A1 (0.49) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854414 0.76 MAPT (0.53) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2859264 0.75 MAPT (0.46) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10366449 0.75 MAPT (0.53) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854614 0.75 MAPT (0.49) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2853095 0.75 ALDH1A1 (0.58) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E

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 disclosed