SCHEMBL6885992

SCHEMBL6885992

Cc1nn(CC(=O)O)c(=O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.77
NPSR1 Q6W5P4 2/20 0.73
RAB9A P51151 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.72
ALOX15 P16050 2/20 0.68
HTT P42858 2/20 0.65
MAPK1 P28482 1/20 0.65
POLB P06746 1/20 0.64
TSHR P16473 2/20 0.63
KMT2A Q03164 1/20 0.61

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
SCHEMBL12301768 0.89 LMNA (0.75) LMNANPSR1RAB9ASMN1; SMN2HTT
SCHEMBL12892245 0.86 LMNA (0.71) LMNANPSR1RAB9ASMN1; SMN2HTT
SCHEMBL11985505 0.84 LMNA (0.69) LMNANPSR1RAB9ASMN1; SMN2HTT
SCHEMBL3354341 0.83 HSD17B10 (0.65) LMNANPSR1RAB9ASMN1; SMN2ALOX15
SCHEMBL23915567 0.81 LMNA (0.64) LMNANPSR1RAB9ASMN1; SMN2HTT
SCHEMBL12877767 0.81 LMNA (0.64) LMNANPSR1RAB9ASMN1; SMN2HTT
SCHEMBL24076967 0.81 ALOX15 (1.00) LMNANPSR1RAB9AALOX15TSHR
SCHEMBL24000166 0.80 ALDH1A1 (0.65) LMNANPSR1RAB9ASMN1; SMN2HTT
SCHEMBL13799881 0.79 ALOX15 (1.00) NPSR1RAB9ASMN1; SMN2ALOX15TSHR
SCHEMBL31703144 0.79 ALOX15 (1.00) NPSR1RAB9ASMN1; SMN2ALOX15TSHR

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