SCHEMBL2854492

SCHEMBL2854492

O=C(Nc1cccc(F)c1)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
MTOR P42345 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MALT1 Q9UDY8 2/20 0.37
CD38 P28907 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK8 P49336 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GPX4 P36969 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2857917 0.88 MAPT (0.42) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL2854810 0.86 KMT2A (0.46) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2862993 0.86 MEN1 (0.41) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2852553 0.86 MALT1 (0.40) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2854572 0.85 RAB9A (0.44) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2854269 0.84 RAB9A (0.46) MAPTRAB9ANPC1MTORALDH1A1
SCHEMBL2856974 0.83 MAPT (0.39) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2857337 0.83 KMT2A (0.43) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2852401 0.80 L3MBTL1 (0.39) MEN1KMT2ANPSR1L3MBTL1RAB9A
SCHEMBL2861646 0.80 NPC1 (0.42) MAPTMEN1KMT2AKDM4ENPSR1

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