SCHEMBL2855124

SCHEMBL2855124

CC(C)(C)NC(=O)c1cnn(-c2ccccc2[N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MALT1 Q9UDY8 12/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX1 P51575 1/20 0.42

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
SCHEMBL2856256 0.85 MAPT (0.61) KDM4EALDH1A1MALT1MAPTPOLB
SCHEMBL2848347 0.83 GAA (0.51) KDM4EALDH1A1MALT1MAPTPOLB
SCHEMBL2856308 0.82 SPR (0.51) KDM4EALDH1A1MALT1
SCHEMBL2854304 0.81 NPC1 (0.49) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10202322 0.81 ALDH1A1 (0.52) KDM4EALDH1A1MALT1MAPTPOLB
SCHEMBL2854458 0.81 ACHE (0.56) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2860320 0.80 CCR1 (0.52) KDM4EALDH1A1MALT1P2RX1
SCHEMBL2854027 0.80 ALDH1A1 (0.72) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2852100 0.79 MAPK11 (0.49) KDM4EALDH1A1MALT1MAPTPOLB
SCHEMBL2859043 0.78 CCR1 (0.62) ALDH1A1MALT1

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