SCHEMBL29967780

SCHEMBL29967780

Cc1nc2c(-c3ccc(C4=CCCCC4)cc3)cccc2n1Cc1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
PIK3C2B O00750 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FABP4 P15090 2/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
ACMSD Q8TDX5 1/20 0.39
MCL1 Q07820 1/20 0.39
BAD Q92934 1/20 0.39

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
SCHEMBL29967497 0.92 PPARG (0.42) PPARGKDM4EALDH1A1FABP4ACMSD
SCHEMBL29968433 0.89 CYP19A1 (0.39) PPARGPIK3C2BAGTR1AGTR2
SCHEMBL29968268 0.86 KDM4E (0.43) PPARGPIK3C2BKDM4EALDH1A1ACMSD
SCHEMBL29968012 0.85 NR1H4 (0.46) PPARGKDM4EALDH1A1AGTR1AGTR2
SCHEMBL29967688 0.84 CNR2 (0.38) PPARGKDM4EACMSD
SCHEMBL29967953 0.84 PLA2G10 (0.41) PPARGFABP4
SCHEMBL29967971 0.83 PPARG (0.42) PPARGAGTR1AGTR2
SCHEMBL29968296 0.82 PPARG (0.39) PPARGPIK3C2BALDH1A1
SCHEMBL29967767 0.81 FABP4 (0.37) PPARGKDM4EALDH1A1FABP4ACMSD
SCHEMBL29968198 0.80 DCTPP1 (0.42) PPARGAGTR1AGTR2

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
CN-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 CN disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 CN disclosed