SCHEMBL2860975

SCHEMBL2860975

O=C(Nc1ccc(Cl)cc1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MET P08581 1/20 0.46
AXL P30530 1/20 0.46
NR3C1 P04150 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR35 Q9HC97 1/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPC1 P48995 1/20 0.42
TRPC3 Q13507 1/20 0.42
STIM1 Q13586 1/20 0.42

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
SCHEMBL2848317 0.96 MAPT (0.46) MAPTSMN1; SMN2POLBATMKDM4E
SCHEMBL2852244 0.94 MAPT (0.48) MAPTSMN1; SMN2POLBATMKDM4E
SCHEMBL2861576 0.94 MAPT (0.45) MAPTSMN1; SMN2POLBATMKDM4E
SCHEMBL2850725 0.92 MAPT (0.54) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL2853065 0.90 NR3C1 (0.46) MAPTSMN1; SMN2ATMALDH1A1NR3C1
SCHEMBL2856976 0.90 MAPT (0.52) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL2852536 0.88 MAPT (0.46) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL2850524 0.88 MAPT (0.43) MAPTSMN1; SMN2ATMMETAXL
SCHEMBL2848538 0.87 MAPT (0.45) MAPTSMN1; SMN2ATMNR3C1NPSR1
SCHEMBL2859102 0.87 MAPT (0.45) MAPTSMN1; SMN2ATMNPSR1TRPC1

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