SCHEMBL2856355

SCHEMBL2856355

Cc1ccccc1NC(=O)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
NPY5R Q15761 1/20 0.44
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.41
MET P08581 1/20 0.40
AXL P30530 1/20 0.40

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
SCHEMBL2852361 0.93 KDM4E (0.47) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2859508 0.92 CYP1A2 (0.46) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2850871 0.88 NPC1 (0.51) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL2857574 0.88 MAPT (0.50) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2860786 0.87 MAPT (0.49) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2850763 0.86 MAPT (0.48) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL2850725 0.85 MAPT (0.54) NPC1MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL2853256 0.83 SMN1; SMN2 (0.46) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL2860986 0.82 MAPT (0.45) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL2853255 0.81 HSP90AA1 (0.48) RAB9ANPC1MAPTSMN1; SMN2POLB

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