SCHEMBL2853095

SCHEMBL2853095

O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N(Cc1cccnc1)Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSP90AA1 P07900 1/20 0.48
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GPR6 P46095 1/20 0.44
CCR1 P32246 3/20 0.43
ABCB1 P08183 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ACHE P22303 1/20 0.41
PTPN1 P18031 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL2854614 0.90 MAPT (0.49) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL2854667 0.84 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL2854455 0.83 KMT2A (0.50) ALDH1A1MAPTMAPK1NPSR1CCR1
SCHEMBL2856206 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL16615787 0.82 ALDH1A1 (0.81) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL2860433 0.82 MAPT (0.48) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL10366449 0.80 MAPT (0.53) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL2852819 0.80 CCR1 (0.57) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL2854321 0.79 MAPT (0.53) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL2857362 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1NPSR1HSP90AA1

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