SCHEMBL17210443

SCHEMBL17210443

Nc1ncc(C2=CC=C(C3(C(=O)Nc4ccc5ncsc5c4)CCC3)CN2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.42
IKBKB O14920 3/20 0.39
CHUK O15111 3/20 0.39
ROCK1 Q13464 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
IRAK4 Q9NWZ3 12/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.35

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
SCHEMBL9935072 0.82 OTUD7B (0.45) OTUD7BIKBKBCHUKROCK1IRAK4
SCHEMBL9966451 0.80 OTUD7B (0.43) OTUD7BIKBKBCHUKIRAK4
SCHEMBL9966434 0.75 HDAC1 (0.44) OTUD7BIKBKBCHUKROCK1NPC1
SCHEMBL19056913 0.66 CNR2 (0.52) OTUD7BNPC1RAB9AKMT2AKDM4E
SCHEMBL25854530 0.65 NPC1 (0.55) OTUD7BNPC1RAB9AKMT2AKDM4E
SCHEMBL9966546 0.64 IDO1 (0.46) LMNA
SCHEMBL12354787 0.64 NTRK1 (0.55) IKBKBCHUKROCK1NPC1RAB9A
SCHEMBL14325151 0.64 LMNA (0.44) LMNANPSR1
SCHEMBL22341606 0.63 NPC1 (0.58) OTUD7BNPC1RAB9AKMT2AKDM4E
SCHEMBL9966257 0.63 LMNA (0.44) LMNANPSR1

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-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed