SCHEMBL10005071

SCHEMBL10005071

COc1cc(NC(=O)[C@H](C)N)c(-c2nc3ccccc3o2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ POLB P06746 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TP53 P04637 5/20 0.51
▸ THRB P10828 2/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ AGPAT2 O15120 1/20 0.47
▸ USP2 O75604 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGS2 P35354 1/20 0.45

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
SCHEMBL3337498 0.83 HSD17B10 (0.53) MAPTPOLBHSD17B10NPSR1TP53
SCHEMBL10005074 0.83 LMNA (0.53) MAPTPOLBHSD17B10NPSR1TP53
SCHEMBL10005077 0.82 MAPT (0.53) MAPTPOLBTP53THRBNPC1
SCHEMBL10315955 0.79 NPC1 (0.59) MAPTPOLBHSD17B10NPSR1TDP1
SCHEMBL10291387 0.74 NPC1 (0.62) MAPTHSD17B10NPSR1TDP1TP53
SCHEMBL10005080 0.73 CASP3 (0.55) MAPTPOLBNPSR1TDP1TP53
SCHEMBL8964777 0.71 KDM6B (0.61) MAPTPOLBHSD17B10NPSR1TDP1
SCHEMBL29874275 0.70 TP53 (0.76) MAPTPOLBHSD17B10NPSR1TP53
SCHEMBL16156476 0.70 TOP2A (0.62) MAPTPOLBHSD17B10NPSR1TP53
SCHEMBL31048510 0.69 C1R (0.64) MAPTHSD17B10NPSR1TDP1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471944-B1 Novel peptidase substrates BIOMERIEUX SA (FR) 2016-09-14 — — EP disclosed
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
Send feedback