SCHEMBL2855950

SCHEMBL2855950

O=C(Nc1ccncc1)Oc1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MET P08581 1/20 0.38
AXL P30530 1/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
CCR1 P32246 1/20 0.38
NPY5R Q15761 1/20 0.38
MAPK14 Q16539 2/20 0.38
MTOR P42345 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2862978 0.87 MET (0.41) SMN1; SMN2LMNAMALT1METAXL
SCHEMBL2854269 0.83 RAB9A (0.46) POLBSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2850733 0.83 KEAP1 (0.46) KEAP1NFE2L2
SCHEMBL2855716 0.83 KEAP1 (0.46) POLBSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2850524 0.82 MAPT (0.43) SMN1; SMN2MALT1METAXLRAB9A
SCHEMBL2850397 0.82 MALT1 (0.57) POLBSMN1; SMN2ALDH1A1MALT1KEAP1
SCHEMBL2850725 0.81 MAPT (0.54) POLBSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2854572 0.81 RAB9A (0.44) SMN1; SMN2RAB9AMAPTNPC1CCR1
SCHEMBL2855275 0.80 MAPT (0.45) METAXLRAB9AMAPTNPC1
SCHEMBL2857337 0.80 KMT2A (0.43) LMNAMALT1RAB9AMAPTNPC1

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