SCHEMBL6209110

SCHEMBL6209110

CC(CCNC(=O)c1ccc(N2CCOCC2)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 4/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
CHRM1 P11229 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
SCHEMBL6211427 0.94 ALDH1A1 (0.36) HSD17B10SMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL6208961 0.94 CTSK (0.38) HSD17B10SMN1; SMN2ALDH1A1LMNACHRM1
SCHEMBL6212580 0.93 ALDH1A1 (0.39) HSD17B10SMN1; SMN2ALDH1A1LMNASMYD3
SCHEMBL6213622 0.90 LMNA (0.38) HSD17B10TSHRSMN1; SMN2ALDH1A1NAMPT
SCHEMBL6211651 0.90 NAMPT (0.38) HSD17B10TSHRSMN1; SMN2TP53ALDH1A1
SCHEMBL6211558 0.89 LMNA (0.38) HSD17B10TSHRALDH1A1LMNASMYD3
SCHEMBL6212436 0.89 LMNA (0.38) HSD17B10TSHRALDH1A1LMNASMYD3
SCHEMBL6213162 0.88 CTSK (0.42) HSD17B10TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL6209651 0.88 LMNA (0.42) TP53NAMPTLMNA
SCHEMBL6211403 0.88 NAMPT (0.37) HSD17B10NAMPTLMNASMYD3

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 disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed