SCHEMBL2852553

SCHEMBL2852553

O=C(Nc1ccncc1)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 10/20 0.40
TYK2 P29597 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSP90AA1 P07900 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK2 O60674 1/20 0.35
NPC1 O15118 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL2856974 0.87 MAPT (0.39) MALT1MAPTMEN1KMT2ANPSR1
SCHEMBL2854492 0.86 MAPT (0.42) MALT1MAPTMEN1KMT2ANPSR1
SCHEMBL2854611 0.85 TRPV1 (0.41) MALT1MAPTMEN1KMT2ANPSR1
SCHEMBL2857917 0.84 MAPT (0.42) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2850226 0.83 MALT1 (0.56) MALT1
SCHEMBL2850524 0.82 MAPT (0.43) MALT1MAPTMEN1KMT2ANPSR1
SCHEMBL2862993 0.82 MEN1 (0.41) MALT1MAPTMEN1KMT2ANPSR1
SCHEMBL2852401 0.82 L3MBTL1 (0.39) MEN1KMT2ANPSR1L3MBTL1SMN1; SMN2
SCHEMBL2852387 0.81 P2RX7 (0.37) MALT1MAPTKDM4EKEAP1NFE2L2
SCHEMBL2850882 0.81 MALT1 (0.44) MALT1

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