SCHEMBL6888161

SCHEMBL6888161

O=C(O)CSc1nnnn1C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 1.00
ALDH1A1 P00352 11/20 0.71
RAB9A P51151 2/20 0.71
NPC1 O15118 1/20 0.71
LMNA P02545 2/20 0.66
PKM P14618 1/20 0.65
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
GAA P10253 1/20 0.56

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
SCHEMBL10675875 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL10969531 0.78 L3MBTL1 (0.64) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL10677538 0.78 L3MBTL1 (0.64) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL10968713 0.76 L3MBTL1 (0.61) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL13997161 0.76 L3MBTL1 (0.59) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL10731210 0.75 MEN1 (0.67) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL10679854 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL10682396 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL3300574 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1RAB9ANPC1TSHR
SCHEMBL10973437 0.73 ALDH1A1 (0.60) L3MBTL1ALDH1A1RAB9ANPC1LMNA

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
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed