SCHEMBL17397278

SCHEMBL17397278

CNC(=O)C=CN1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PARP1 P09874 2/20 0.31
PARP10 Q53GL7 2/20 0.31
PARP14 Q460N5 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TGM2 P21980 1/20 0.30

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
SCHEMBL6454724 0.84 RECQL (0.49) NPC1MAPTUSP2ALDH1A1LMNA
SCHEMBL28094529 0.73 ALDH1A1 (0.39) NPC1MAPTUSP2ALDH1A1LMNA
SCHEMBL18195434 0.73 ALDH1A1 (0.39) NPC1MAPTUSP2ALDH1A1LMNA
SCHEMBL6772333 0.73 NFE2L2 (0.52) NPC1MAPTUSP2ALDH1A1LMNA
SCHEMBL6772335 0.73 NFE2L2 (0.52) NPC1MAPTUSP2ALDH1A1LMNA
SCHEMBL15601151 0.72 CHRNB2 (0.42) MAPTALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL11299053 0.71 ALDH1A1 (0.41) NPC1MAPTUSP2ALDH1A1LMNA
SCHEMBL16807838 0.71 ALDH1A1 (0.41) NPC1MAPTUSP2ALDH1A1LMNA
SCHEMBL1144907 0.71 NFE2L2 (0.50) NPC1MAPTUSP2ALDH1A1LMNA
SCHEMBL1144905 0.71 NFE2L2 (0.50) NPC1MAPTUSP2ALDH1A1LMNA

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
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO claimed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO disclosed