SCHEMBL28170397

SCHEMBL28170397

N=C(N)N1CCCCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.55
HSD11B1 P28845 2/20 0.49
PARP14 Q460N5 2/20 0.48
PARP10 Q53GL7 1/20 0.48
BACE1 P56817 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
PRMT5 O14744 3/20 0.45
WDR77 Q9BQA1 3/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
EPHX2 P34913 2/20 0.43
TRPC3 Q13507 1/20 0.42
TRPC6 Q9Y210 1/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42

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
SCHEMBL11436917 0.95 RIPK1 (0.60) RIPK1HSD11B1PARP14PARP10CHRNB2
SCHEMBL1651691 0.83 RIPK1 (0.51) RIPK1HSD11B1PARP14PARP10BACE1
SCHEMBL938757 0.83 RIPK1 (0.59) RIPK1HSD11B1PARP14PARP10BACE1
SCHEMBL30964008 0.80 SPHK2 (0.43) RIPK1
SCHEMBL27574946 0.79 RIPK1 (0.62) RIPK1HSD11B1PARP14PARP10BACE1
SCHEMBL4019469 0.79 RIPK1 (0.62) RIPK1HSD11B1PARP14PARP10BACE1
SCHEMBL216202 0.79 RIPK1 (0.62) RIPK1HSD11B1PARP14PARP10BACE1
SCHEMBL27574934 0.79 RIPK1 (0.62) RIPK1HSD11B1PARP14PARP10BACE1
SCHEMBL27593250 0.79 RIPK1 (0.54) RIPK1HSD11B1PARP14PARP10BACE1
SCHEMBL8957415 0.79 CCNC (0.46) RIPK1SCD5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103547579-B Fused imidazole derivatives as IDO inhibitors 新联基因公司 2017-02-15 CN claimed
CN-107148419-A The inhibitor of ZESTE enhancers homologue 2 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-08 CN disclosed