SCHEMBL6212436

SCHEMBL6212436

CC(CCNC(=O)c1ccc(C(C)C)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.36
CCR5 P51681 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ELOVL6 Q9H5J4 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
HCRTR2 O43614 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
SCHEMBL6211558 0.94 LMNA (0.38) LMNAHSD17B10SMYD3ALDH1A1ELOVL6
SCHEMBL6213622 0.93 LMNA (0.38) LMNAHSD17B10RAB9ASMYD3ALDH1A1
SCHEMBL6211403 0.91 NAMPT (0.37) LMNAHSD17B10CCR5SMYD3ELOVL6
SCHEMBL6209651 0.91 LMNA (0.42) LMNAELOVL6POLBKMT2A
SCHEMBL6213162 0.91 CTSK (0.42) LMNAHSD17B10SMYD3ALDH1A1ELOVL6
SCHEMBL6211427 0.91 ALDH1A1 (0.36) LMNAHSD17B10NPC1RAB9ASMYD3
SCHEMBL6211355 0.91 LMNA (0.36) LMNAHSD17B10SMYD3ALDH1A1ELOVL6
SCHEMBL6208961 0.90 CTSK (0.38) LMNAHSD17B10ALDH1A1KMT2A
SCHEMBL6211220 0.90 CHRM4 (0.38) LMNAHSD17B10CCR5NPC1RAB9A
SCHEMBL6209110 0.89 HSD17B10 (0.39) LMNAHSD17B10SMYD3ALDH1A1TSHR

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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed