SCHEMBL2855644

SCHEMBL2855644

CC(C)(C)NC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MALT1 Q9UDY8 8/20 0.42
MAPT P10636 3/20 0.42
TRPC3 Q13507 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.38
APEX1 P27695 1/20 0.36
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2856156 0.83 MAPT (0.58) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2850365 0.80 SPR (0.53) ALDH1A1KDM4EMALT1MAPTKMT2A
SCHEMBL2852810 0.78 KDM4E (0.48) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2856252 0.78 P2RX1 (0.49) TRPC3
SCHEMBL2848180 0.77 CCR1 (0.51) ALDH1A1KDM4EMALT1TRPC3KMT2A
SCHEMBL2854430 0.77 MAPK11 (0.47) ALDH1A1KDM4EMAPTTRPC3KMT2A
SCHEMBL2854027 0.77 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2852951 0.76 MALT1 (0.45) ALDH1A1KDM4EMALT1TRPC3
SCHEMBL2854118 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTTRPC3POLB
SCHEMBL2855376 0.75 CCR1 (0.60) KMT2ALMNATDP1

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