SCHEMBL2850258

SCHEMBL2850258

O=C(Nc1cccc(Cl)c1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPY5R Q15761 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C9 P11712 1/20 0.41
BRAF P15056 1/20 0.40
DHODH Q02127 1/20 0.40
CCR1 P32246 2/20 0.39
GAA P10253 1/20 0.39
RIPK1 Q13546 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
SCHEMBL2854221 0.92 MAPT (0.51) MAPTMEN1KMT2ANPY5RNPSR1
SCHEMBL2854572 0.92 RAB9A (0.44) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2852565 0.92 MAPT (0.42) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2848615 0.91 MAPT (0.44) MAPTMEN1KMT2ANPY5RNPSR1
SCHEMBL2853258 0.91 NPY5R (0.45) MAPTMEN1KMT2ACYP3A4NPY5R
SCHEMBL2852360 0.91 MAPT (0.42) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2853385 0.91 MAPT (0.42) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2848317 0.90 MAPT (0.46) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2860939 0.90 LMNA (0.45) MAPTMEN1KMT2ACYP1A2NPY5R
SCHEMBL2860829 0.89 TNKS (0.42) MAPTMEN1KMT2ANPSR1SMN1; SMN2

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