SCHEMBL2926447

SCHEMBL2926447

COc1ccc(-n2ncc(OC(=O)NCC3CCCCC3)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 2/20 0.41
MMP13 P45452 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL2924005 0.89 CNR1 (0.41) CTSLCTSSCTSKKMT2AALDH1A1
SCHEMBL2918938 0.89 CNR1 (0.52) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2926527 0.89 RIPK1 (0.47) CTSLCTSSCTSKALDH1A1NPC1
SCHEMBL2927664 0.83 CTSL (0.58) CTSLCTSSCTSKPOLBKMT2A
SCHEMBL2925886 0.80 TSHR (0.43) POLBKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL2926594 0.79 HPGD (0.42) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL2860234 0.78 HPGD (0.54) POLBKMT2AALDH1A1NPC1RAB9A
SCHEMBL2854531 0.76 LMNA (0.52) POLBKMT2AALDH1A1NPC1RAB9A
SCHEMBL2854802 0.76 LMNA (0.48) POLBKMT2AALDH1A1MAPTMEN1
SCHEMBL2853389 0.76 NPC1 (0.62) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2

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-1615698-B1 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF HIGH POINT PHARMACEUTICALS LLC (US) 2010-09-29 EP claimed