SCHEMBL10004971

SCHEMBL10004971

NCCC(=O)Nc1ccccc1-c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.54
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ TP53 P04637 3/20 0.49
▸ THRB P10828 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL3345659 0.91 HSD17B10 (0.55) HSD17B10MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL10005165 0.86 MAPT (0.53) HSD17B10MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL10005128 0.86 HSD17B10 (0.47) HSD17B10MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL10005074 0.82 LMNA (0.53) HSD17B10MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL9042363 0.81 RAB9A (0.63) HSD17B10MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL9045395 0.79 HSD17B10 (0.56) HSD17B10MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL3337498 0.79 HSD17B10 (0.53) HSD17B10MAPTKDM4ESMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL10923922 0.74 KMT2A (0.56) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL27836376 0.73 TOP2A (0.46) HSD17B10MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL10291489 0.73 ALDH1A1 (0.51) HSD17B10MAPTKDM4ESMN1; SMN2NPC1

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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