SCHEMBL13638900

SCHEMBL13638900

Cc1ccc(CN(C)CCO)cc1C(=O)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.54
CYP11B2 P19099 1/20 0.50
CSF1R P07333 2/20 0.49
KIT P10721 1/20 0.49
KDR P35968 1/20 0.49
MAPK14 Q16539 1/20 0.49
NAMPT P43490 3/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL13162040 0.90 BRAF (0.54) BRAFCYP11B2CSF1RKITKDR
SCHEMBL13163949 0.78 CCNE2 (0.49) CYP11B2NAMPTPOLBMAPTTDP1
SCHEMBL13638807 0.77 ALDH1A1 (0.47) CYP11B2NAMPTPOLBMAPTTDP1
SCHEMBL13634247 0.77 SMN1; SMN2 (0.48) CYP11B2NAMPTPOLBMAPTTRPV1
SCHEMBL13162750 0.75 SMN1; SMN2 (0.46) CYP11B2POLBMAPTTDP1NPC1
SCHEMBL13162877 0.75 MAPT (0.62) BRAFCYP11B2CSF1RKITKDR
SCHEMBL3934041 0.74 BRAF (0.63) BRAFCYP11B2CSF1RKITKDR
SCHEMBL13161982 0.74 BRAF (0.74) BRAFCYP11B2CSF1RKITKDR
SCHEMBL3943800 0.73 BRAF (0.80) BRAFCYP11B2CSF1RNAMPT
SCHEMBL13162883 0.73 ABL1 (0.56) BRAFCYP11B2POLBMAPTRECQL

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed