SCHEMBL6213640

SCHEMBL6213640

CC(CCNC(=O)c1ccc(-c2cnco2)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.38
LMNA P02545 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
GPR119 Q8TDV5 5/20 0.34
TAOK1 Q7L7X3 1/20 0.34
HSD17B10 Q99714 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL6210230 0.90 ROCK2 (0.40) ROCK2LMNASMYD3GPR119TAOK1
SCHEMBL6213622 0.89 LMNA (0.38) LMNASMYD3HSD17B10TSHRELOVL6
SCHEMBL6209737 0.89 ROCK2 (0.38) ROCK2GPR119TAOK1
SCHEMBL6212436 0.88 LMNA (0.38) LMNASMYD3HSD17B10TSHRELOVL6
SCHEMBL6211558 0.88 LMNA (0.38) LMNASMYD3HSD17B10RXFP1TSHR
SCHEMBL6209651 0.87 LMNA (0.42) LMNAELOVL6
SCHEMBL6213162 0.87 CTSK (0.42) LMNASMYD3HSD17B10RXFP1TSHR
SCHEMBL6211403 0.87 NAMPT (0.37) LMNASMYD3HSD17B10ELOVL6
SCHEMBL6211053 0.87 CHRM4 (0.39) LMNAHSD17B10RXFP1TSHRELOVL6
SCHEMBL6209110 0.86 HSD17B10 (0.39) LMNASMYD3HSD17B10TSHR

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 4 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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed