SCHEMBL27534752

SCHEMBL27534752

N#CC(N)CC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
BRCA1 P38398 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 8/20 0.38
CTSC P53634 1/20 0.37
CTSL P07711 5/20 0.36
CTSB P07858 5/20 0.36
CTSH P09668 3/20 0.35
METAP1 P53582 1/20 0.34

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
SCHEMBL21211687 1.00 KDM4E (0.38) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL27452661 0.87
SCHEMBL15045504 0.79 METAP1 (0.33) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL7418539 0.79 METAP1 (0.37) CTSKMETAP1
SCHEMBL7451839 0.79 METAP1 (0.33) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL3504941 0.79 METAP1 (0.37) CTSKMETAP1
SCHEMBL1449256 0.79 METAP1 (0.37) CTSKMETAP1
SCHEMBL29278682 0.78 CTSK (0.39) CTSKCTSLCTSBCTSH
SCHEMBL27437240 0.78 CTSK (0.39) CTSKCTSLCTSBCTSH
SCHEMBL16433676 0.77 CTSL (0.31) CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101020641-A Process for preparing amines by conditioning the catalyst with ammonia DEGUSSA (DE) 2007-08-22 CN claimed
CN-1230417-C Process for preparing primary and secondary amines from nitriles BASF AG (DE) 2005-12-07 CN disclosed
CN-1220673-C Preparation method of secondary amine by using hydrocyanic ester BASF AG (DE) 2005-09-28 CN disclosed
CN-1367164-A Preparation method of secondary amine by using hydrocyanic ester BASF AG (DE) 2002-09-04 CN disclosed
CN-1365965-A Process for preparing primary and secondary amines from nitriles BASF AG (DE) 2002-08-28 CN disclosed