SCHEMBL2850388

SCHEMBL2850388

C=C(C)c1ccccc1NC(=O)Oc1cnn(-c2ncccn2)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
MALT1 Q9UDY8 6/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 1/20 0.32
MET P08581 2/20 0.32
MST1R Q04912 1/20 0.32
AXL P30530 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2852605 0.90 HPGD (0.37) LMNAKDM4EALDH1A1MAPTHPGD
SCHEMBL2855477 0.85 MAPT (0.41) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL2850855 0.83 KEAP1 (0.36) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL2853031 0.83 MAPT (0.41) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL2854678 0.83 ATR (0.40) KDM4EMAPTIRAK4
SCHEMBL2857444 0.81 ALDH1A1 (0.42) KDM4EALDH1A1MAPTMALT1RXFP1
SCHEMBL2861607 0.77 TRPV1 (0.42) SMN1; SMN2KMT2A
SCHEMBL2858340 0.75 MALT1 (0.42) MALT1KMT2A
SCHEMBL2857337 0.75 KMT2A (0.43) LMNAKDM4EMAPTCYP1A2MALT1
SCHEMBL2853241 0.75 SMN1; SMN2 (0.41) LMNAALDH1A1MAPTSMN1; SMN2KMT2A

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