SCHEMBL2854458

SCHEMBL2854458

CC(C)(C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.56
MAPT P10636 7/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CCR1 P32246 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 3/20 0.46
HSD11B1 P28845 1/20 0.44
MEN1 O00255 2/20 0.44
TRPC3 Q13507 1/20 0.44
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL24304030 0.85 TRPC3 (0.60) ACHEMAPTNPC1RAB9ANPSR1
SCHEMBL2854118 0.84 ALDH1A1 (0.56) ACHEMAPTNPSR1KDM4EALDH1A1
SCHEMBL2077594 0.83 MAPT (0.68) ACHEMAPTNPC1RAB9ANPSR1
SCHEMBL2854027 0.83 ALDH1A1 (0.72) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3056519 0.82 ACHE (0.60) ACHEMAPTNPC1RAB9ANPSR1
SCHEMBL2856953 0.81 ALDH1A1 (0.53) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL2855124 0.81 KDM4E (0.47) MAPTKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL2852972 0.81 SPR (0.52) ACHEMAPTNPC1RAB9ANPSR1
SCHEMBL2855062 0.80 CCR1 (0.65) ACHEMAPTNPC1RAB9ANPSR1
SCHEMBL6070165 0.79 MAPT (0.71) ACHEMAPTNPC1RAB9ANPSR1

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