SCHEMBL2860786

SCHEMBL2860786

O=C(Nc1ccccc1Cl)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
MET P08581 1/20 0.40
AXL P30530 1/20 0.40
LMNA P02545 4/20 0.40
NR3C1 P04150 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHB3 P54753 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 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
SCHEMBL2852552 0.94 MEN1 (0.51) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2854516 0.93 P2RX7 (0.46) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2857574 0.88 MAPT (0.50) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2850871 0.88 NPC1 (0.51) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2853256 0.87 SMN1; SMN2 (0.46) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2856355 0.87 RAB9A (0.52) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2850763 0.86 MAPT (0.48) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2850725 0.85 MAPT (0.54) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2860975 0.84 MAPT (0.49) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2854596 0.84 TP53 (0.46) MAPTSMN1; SMN2POLBALDH1A1KDM4E

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