SCHEMBL6209450

SCHEMBL6209450

COc1ccc(C(=O)NCCC(C)CC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.43
GAA P10253 1/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
PTAFR P25105 1/20 0.39
LMNA P02545 1/20 0.39
SLC18A3 Q16572 2/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
CHRM4 P08173 1/20 0.38
CCR5 P51681 2/20 0.37
NAMPT P43490 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL6213867 0.93 CHRM4 (0.40) CXCR3LMNAPOLBHPGDCHRM4
SCHEMBL6212257 0.93 POLB (0.40) CXCR3GAALMNAKMT2APOLB
SCHEMBL6275935 0.92 NAMPT (0.41) CXCR3LMNAPOLBHPGDCHRM4
SCHEMBL6208718 0.91 LMNA (0.42) GAALMNAKMT2AHPGDCHRM4
SCHEMBL6211570 0.90 SLC6A5 (0.38) LMNACHRM4CCR5NAMPTSMYD3
SCHEMBL6211038 0.90 CTSK (0.41) GAACHRNB2CHRNA7CHRNA4LMNA
SCHEMBL6212884 0.90 LMNA (0.37) LMNAHPGDCHRM4SMYD3
SCHEMBL6209651 0.90 LMNA (0.42) CXCR3GAALMNAKMT2APOLB
SCHEMBL6209295 0.89 CTSK (0.37) LMNAKMT2ASMYD3
SCHEMBL6211651 0.89 NAMPT (0.38) LMNATP53NAMPTSMYD3

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