SCHEMBL30122010

SCHEMBL30122010

Cc1nc2ccc(Br)cc2cc1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ HTT P42858 1/20 0.47
▸ AURKA O14965 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ KDR P35968 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CASP3 P42574 3/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ PRNP P04156 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
SCHEMBL24745633 1.00 GRM1 (0.48) GRM1ALDH1A1HTTAURKAAURKB
SCHEMBL24597630 0.88 ALDH1A1 (0.43) GRM1ALDH1A1HTTAURKAAURKB
SCHEMBL8354251 0.82 GRM1 (0.50) GRM1ALDH1A1HTTCASP3RXFP1
SCHEMBL24745514 0.81 MTNR1A (0.41) GRM1ALDH1A1HTTCASP3RXFP1
SCHEMBL30121847 0.81 MTNR1A (0.41) GRM1ALDH1A1HTTCASP3RXFP1
SCHEMBL24597657 0.80 KDM4E (0.67) GRM1ALDH1A1HTTMEN1KMT2A
SCHEMBL24744927 0.79 KDM4E (0.58) GRM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31028633 0.79 BCAT2 (0.40) GRM1ALDH1A1AURKAAURKBKDR
SCHEMBL29098595 0.77 CYP1A2 (0.54) GRM1ALDH1A1HTTMEN1KMT2A
SCHEMBL31028569 0.77 KDM4E (0.38) GRM1ALDH1A1MEN1KMT2AKDM4E

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-4347579-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2024-04-10 — — EP disclosed
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 — — WO disclosed
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