SCHEMBL9326554

SCHEMBL9326554

O=C1CC(Nc2ccccc2)C(=O)N1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 15/20 0.70
CRBN Q96SW2 15/20 0.70
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL6940107 0.90 GAA (0.75) DDB1CRBNGAATSHR
SCHEMBL21965481 0.82 DDB1 (1.00) DDB1CRBN
SCHEMBL22144430 0.76 GAA (0.57) DDB1CRBNGAATSHR
SCHEMBL28865590 0.75 CRBN (0.49) DDB1CRBNGAATSHRSMN1; SMN2
SCHEMBL22144684 0.74 ALKBH5 (0.44) DDB1CRBNGAATSHRSMN1; SMN2
SCHEMBL9690902 0.74 ALKBH5 (0.44) DDB1CRBNGAATSHRSMN1; SMN2
SCHEMBL21965358 0.74 DDB1 (0.82) DDB1CRBN
SCHEMBL22119641 0.73 TSHR (0.50) DDB1CRBNGAATSHRNFKB1
SCHEMBL9366340 0.73 CRBN (0.73) DDB1CRBNGAANFKB1NFKB2
SCHEMBL26328760 0.73 DDB1 (0.71) DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257433-B1 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID CO (US) 1994-03-23 EP claimed
EP-0257433-A2 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-03-02 EP claimed
WO-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
EP-0257433-B1 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID CO (US) 1994-03-23 EP disclosed
US-4757146-A Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-07-12 US disclosed
EP-0257433-A2 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-03-02 EP disclosed