SCHEMBL6211355

SCHEMBL6211355

C=Cc1ccc(C(=O)NCCC(C)CC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
ELOVL6 Q9H5J4 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
HCRTR2 O43614 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33
MAPK1 P28482 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
SCHEMBL6213622 0.91 LMNA (0.38) LMNAALDH1A1HSD17B10SMYD3ELOVL6
SCHEMBL6212436 0.91 LMNA (0.38) LMNAALDH1A1HSD17B10SMYD3ELOVL6
SCHEMBL6211558 0.91 LMNA (0.38) LMNAALDH1A1PKMRXFP1RECQL
SCHEMBL6212884 0.90 LMNA (0.37) LMNAALDH1A1PKMRXFP1L3MBTL1
SCHEMBL6208961 0.90 CTSK (0.38) LMNAALDH1A1HSD17B10KMT2AITGB3
SCHEMBL6209651 0.89 LMNA (0.42) LMNAELOVL6POLBKMT2A
SCHEMBL6213162 0.89 CTSK (0.42) LMNAALDH1A1PKMRXFP1HSD17B10
SCHEMBL6211403 0.89 NAMPT (0.37) LMNAHSD17B10SMYD3ELOVL6
SCHEMBL6211427 0.89 ALDH1A1 (0.36) LMNAALDH1A1PKMRECQLHSD17B10
SCHEMBL6211220 0.88 CHRM4 (0.38) LMNAALDH1A1RECQLHSD17B10ELOVL6

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