SCHEMBL29986331

SCHEMBL29986331

C=C(c1c(C)c(C(=O)O)cc2cc(-c3ccnn3C)cn12)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.40
EED O75530 3/20 0.36
RBBP4 Q09028 3/20 0.36
SUZ12 Q15022 3/20 0.36
EZH2 Q15910 3/20 0.36
AEBP2 Q6ZN18 3/20 0.36
RET P07949 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL21113386 0.90 TBK1 (0.41) TBK1EEDRBBP4SUZ12EZH2
SCHEMBL29985806 0.83 EED (0.51) TBK1EEDRBBP4SUZ12EZH2
SCHEMBL21113387 0.81 TBK1 (0.38) TBK1RETSMN1; SMN2POLBMEN1
SCHEMBL21157289 0.78 EZH2 (0.44) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113133 0.77 EED (0.49) TBK1EEDRBBP4SUZ12EZH2
SCHEMBL21113406 0.76 GPR119 (0.41) TBK1EEDRBBP4SUZ12EZH2
SCHEMBL21113055 0.74 EED (0.36) TBK1EEDRBBP4SUZ12EZH2
SCHEMBL21113397 0.74 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113181 0.71 LMNA (0.36) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113156 0.71 GPR119 (0.42) EEDRBBP4SUZ12EZH2AEBP2

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
CN-109790160-B Pyrido five-membered aromatic ring compound, preparation method and application thereof 上海海和药物研究开发股份有限公司 2022-11-15 CN disclosed