SCHEMBL30280784

SCHEMBL30280784

CCc1cc(-c2nnc(CCOC)[nH]2)cc(C(=O)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30
GABRQ Q9UN88 1/20 0.30

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
SCHEMBL30280666 0.87 HCAR2 (0.38) HCAR2POLBTDP1L3MBTL1PTGER4
SCHEMBL30280993 0.86 AKR1C2 (0.37) HCAR2PTGER4
SCHEMBL30280695 0.84 HCAR2 (0.34) HCAR2POLB
SCHEMBL30280911 0.81 AKR1C2 (0.35) HCAR2
SCHEMBL12489130 0.80 FASN (0.38) HCAR2POLBTDP1L3MBTL1GABRP
SCHEMBL12489139 0.80 FASN (0.38) HCAR2POLBTDP1L3MBTL1GABRP
SCHEMBL12488318 0.78 HCAR2 (0.37) HCAR2POLBTDP1L3MBTL1GABRP
SCHEMBL12488381 0.75 FASN (0.39) HCAR2POLBTDP1L3MBTL1GABRP
SCHEMBL12489429 0.75 FASN (0.39) HCAR2POLBTDP1L3MBTL1PTGER4
SCHEMBL30280828 0.74 KDM5B (0.35) KDM5AKDM5B

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-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed