SCHEMBL2853258

SCHEMBL2853258

Cc1cccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.42
FAAH O00519 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CCR1 P32246 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPC1 P48995 1/20 0.40
TRPC3 Q13507 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
STIM2 Q9P246 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
SCHEMBL2852799 0.91 ALDH1A1 (0.46) NPY5RMAPTMEN1KMT2AALDH1A1
SCHEMBL2850258 0.91 MAPT (0.51) NPY5RMAPTMEN1KMT2ACYP3A4
SCHEMBL2848615 0.90 MAPT (0.44) NPY5RMAPTMEN1KMT2AALDH1A1
SCHEMBL2860939 0.89 LMNA (0.45) NPY5RMAPTMEN1KMT2AALDH1A1
SCHEMBL2852565 0.89 MAPT (0.42) MAPTMEN1KMT2ACYP3A4CCR1
SCHEMBL2854572 0.89 RAB9A (0.44) MAPTMEN1KMT2ACYP3A4CCR1
SCHEMBL2854221 0.89 MAPT (0.51) NPY5RMAPTMEN1KMT2AALDH1A1
SCHEMBL2858311 0.89 RAB9A (0.47) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL2853385 0.88 MAPT (0.42) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL2852360 0.88 MAPT (0.42) MAPTMEN1KMT2AALDH1A1CCR1

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