SCHEMBL29680860

SCHEMBL29680860

CC(=O)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.78
THRB P10828 4/20 0.72
RXFP1 Q9HBX9 4/20 0.70
PTGS2 P35354 2/20 0.69
KDR P35968 2/20 0.66
TSHR P16473 1/20 0.64
TP53 P04637 3/20 0.62
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 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
SCHEMBL17544108 1.00 MAPT (0.78) MAPTTHRBRXFP1PTGS2KDR
SCHEMBL2248135 0.90 MAPT (0.90) MAPTTHRBRXFP1PTGS2KDR
SCHEMBL2243746 0.89 MAPT (0.98) MAPTTHRBRXFP1PTGS2KDR
SCHEMBL2245479 0.86 MAPT (0.87) MAPTTHRBRXFP1PTGS2KDR
SCHEMBL2245332 0.86 MAPT (0.87) MAPTTHRBRXFP1PTGS2KDR
SCHEMBL2242938 0.84 MAPT (0.87) MAPTTHRBRXFP1PTGS2KDR
SCHEMBL2245095 0.84 MAPT (0.87) MAPTTHRBRXFP1PTGS2KDR
SCHEMBL2244624 0.84 MAPT (1.00) MAPTTHRBRXFP1PTGS2TSHR
SCHEMBL2240507 0.84 MAPT (0.87) MAPTTHRBRXFP1PTGS2KDR
SCHEMBL30402949 0.84 MAPT (1.00) MAPTTHRBRXFP1PTGS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006016-A2 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2022-06-01 EP disclosed