SCHEMBL2860267

SCHEMBL2860267

CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 8/20 0.52
POLB P06746 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 4/20 0.51
MLYCD O95822 1/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ATM Q13315 1/20 0.47
RECQL P46063 1/20 0.46
PAX8 Q06710 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL2854395 0.94 MAPT (0.51) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2875267 0.91 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2855130 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2856793 0.85 KDM4E (0.53) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2850357 0.84 ALDH1A1 (0.52) ALDH1A1MAPTPOLBTDP1GAA
SCHEMBL2854519 0.83 KDM4E (0.53) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2850026 0.82 KDM4E (0.52) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL5927637 0.82 KDM4E (0.61) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL5927559 0.81 KDM4E (0.51) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL5926154 0.79 KDM4E (0.57) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2

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 disclosed