SCHEMBL6890822

SCHEMBL6890822

CCn1nc(CC(=O)O)c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 1.00
RECQL P46063 1/20 0.71
ALOX15 P16050 1/20 0.67
AKR1B1 P15121 12/20 0.64
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.63
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.57

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
SCHEMBL10007138 0.88 MAPT (0.79) MAPTRECQLALOX15AKR1B1POLB
SCHEMBL9327258 0.88 MAPT (0.78) MAPTALOX15AKR1B1POLBKMT2A
SCHEMBL23914750 0.86 MAPT (0.75) MAPTRECQLALOX15AKR1B1POLB
SCHEMBL8957310 0.84 KMT2A (0.77) MAPTAKR1B1KMT2AALDH1A1TSHR
SCHEMBL10533803 0.83 MAPT (0.71) MAPTRECQLALOX15AKR1B1POLB
SCHEMBL23915521 0.82 MAPT (0.69) MAPTALOX15AKR1B1POLBKMT2A
SCHEMBL15597471 0.81 MAPT (0.68) MAPTPOLBKMT2AALDH1A1TSHR
SCHEMBL8957218 0.81 MAPT (0.68) MAPTALOX15AKR1B1POLBKMT2A
SCHEMBL23966567 0.81 MAPT (0.68) MAPTALOX15AKR1B1POLBKMT2A
SCHEMBL8128443 0.81 MAPT (0.68) MAPTALOX15AKR1B1POLBKMT2A

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