SCHEMBL13638854

SCHEMBL13638854

COc1ccc(C(=O)Nc2cccnc2)c(N=O)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 1/20 0.61
POLB P06746 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 2/20 0.59
TSHR P16473 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.59
BRAF P15056 1/20 0.58
LRRK2 Q5S007 2/20 0.58
PKM P14618 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SGMS2 Q8NHU3 1/20 0.56
GAA P10253 1/20 0.56
CSF1R P07333 1/20 0.55
MEN1 O00255 1/20 0.53
CYP11B2 P19099 1/20 0.52

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
SCHEMBL13638804 0.91 RAB9A (0.62) RAB9AALDH1A1POLBKMT2AKDM4E
SCHEMBL13162010 0.84 BRAF (0.71) RAB9AALDH1A1POLBKMT2AKDM4E
SCHEMBL13638855 0.84 NAMPT (0.59) RAB9AALDH1A1KMT2AKDM4ENPC1
SCHEMBL13162554 0.83 RAB9A (0.64) RAB9AALDH1A1POLBKMT2AKDM4E
SCHEMBL13162340 0.81 BRAF (0.79) RAB9AALDH1A1POLBKMT2AKDM4E
SCHEMBL13162550 0.81 RAB9A (0.64) RAB9AALDH1A1POLBKMT2AKDM4E
SCHEMBL13163080 0.79 NPC1 (0.63) RAB9AALDH1A1POLBKMT2AKDM4E
SCHEMBL3937459 0.78 BRAF (0.84) RAB9AALDH1A1POLBKMT2ABRAF
SCHEMBL13163083 0.77 MAPT (0.60) RAB9AALDH1A1POLBKMT2AKDM4E
SCHEMBL11129936 0.77 RAB9A (1.00) RAB9AALDH1A1POLBKMT2AKDM4E

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