SCHEMBL10005074

SCHEMBL10005074

COc1cc(NC(=O)CCN)c(-c2nc3ccccc3o2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 4/20 0.52
▸ HSD17B10 Q99714 5/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 5/20 0.49
▸ TSHR P16473 3/20 0.49
▸ THRB P10828 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ P2RY14 Q15391 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL10005071 0.83 MAPT (0.51) LMNATP53HSD17B10NPSR1ALDH1A1
SCHEMBL10004971 0.82 HSD17B10 (0.54) LMNATP53HSD17B10NPSR1ALDH1A1
SCHEMBL10005165 0.81 MAPT (0.53) TP53HSD17B10NPSR1ALDH1A1HTT
SCHEMBL10005128 0.81 HSD17B10 (0.47) TP53HSD17B10ALDH1A1MAPTTHRB
SCHEMBL10315955 0.79 NPC1 (0.59) TP53HSD17B10NPSR1ALDH1A1MAPT
SCHEMBL10291387 0.74 NPC1 (0.62) TP53HSD17B10NPSR1ALDH1A1MAPT
SCHEMBL3345659 0.73 HSD17B10 (0.55) LMNATP53HSD17B10NPSR1ALDH1A1
SCHEMBL8964777 0.71 KDM6B (0.61) TP53HSD17B10NPSR1ALDH1A1MAPT
SCHEMBL30831262 0.70 SMN1; SMN2 (0.54) TP53HSD17B10TSHRUSP2P2RY14
SCHEMBL16156477 0.70 NPC1 (0.53) TP53HSD17B10NPSR1ALDH1A1MAPT

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-2155892-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2015-03-18 — — EP disclosed
EP-2471944-A1 Novel peptidase substrates bioMérieux (FR) 2012-07-04 — — EP disclosed
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