SCHEMBL6213622

SCHEMBL6213622

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 6/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 1/20 0.35
NAMPT P43490 1/20 0.35

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 0.93 LMNA (0.38) LMNAHSD17B10SMYD3ALDH1A1ELOVL6
SCHEMBL6212436 0.93 LMNA (0.38) LMNAHSD17B10SMYD3ALDH1A1RAB9A
SCHEMBL6211403 0.92 NAMPT (0.37) LMNAHSD17B10SMYD3ELOVL6DPP4
SCHEMBL6209651 0.92 LMNA (0.42) LMNAELOVL6POLBKMT2ADPP4
SCHEMBL6213162 0.92 CTSK (0.42) LMNAHSD17B10SMYD3ALDH1A1SMN1; SMN2
SCHEMBL6211427 0.91 ALDH1A1 (0.36) LMNAHSD17B10SMYD3ALDH1A1RAB9A
SCHEMBL6211355 0.91 LMNA (0.36) LMNAHSD17B10SMYD3ALDH1A1ELOVL6
SCHEMBL6211220 0.91 CHRM4 (0.38) LMNAHSD17B10ALDH1A1RAB9AELOVL6
SCHEMBL6208961 0.91 CTSK (0.38) LMNAHSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6209110 0.90 HSD17B10 (0.39) LMNAHSD17B10SMYD3ALDH1A1SMN1; 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 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