SCHEMBL28900264

SCHEMBL28900264

CCCCc1cc2[nH]nnc2c(C(=O)O)c1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
HCAR2 Q8TDS4 5/20 0.37
HCAR3 P49019 2/20 0.37
PDE2A O00408 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
SCHEMBL28900999 0.95 PPARA (0.40) DPP4HCAR2HCAR3BIDMCL1
SCHEMBL28441783 0.90 DPP4 (0.40) DPP4GABRPGABRDGABRA1GABRB1
SCHEMBL28900998 0.86
SCHEMBL28446407 0.86 PPARA (0.40) DPP4HCAR2HCAR3BIDMCL1
SCHEMBL28443909 0.83 DPP4 (0.32) DPP4
SCHEMBL10884468 0.82 HCAR3 (0.31) DPP4HCAR2HCAR3
SCHEMBL28469176 0.81 DPP4 (0.34) DPP4DPP8DPP9
SCHEMBL28897297 0.77 DPP4 (0.32) DPP4
SCHEMBL28180147 0.75 TLR8 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2870977 0.73 HCAR2 (0.33) HCAR2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003775-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-03-19 CN disclosed
CN-114787288-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-02-13 CN disclosed
CN-116601262-A Heat transfer fluid compositions with improved thermal stability KD精细化工有限公司 2023-08-15 CN disclosed
CN-116472324-A Cooling liquid composition for electric automobile KD精细化工有限公司 2023-07-21 CN disclosed
CN-115003775-A Colorants for heat transfer fluids and compositions containing the same KD精细化工有限公司 2022-09-02 CN disclosed
CN-114787288-A Colorant for heat transfer fluid and composition comprising same KD精细化工有限公司 2022-07-22 CN disclosed
CN-112088195-B Moisture-curable organopolysiloxane composition and electrical/electronic device 美国陶氏有机硅公司 2021-09-28 CN disclosed
CN-112088195-A Moisture-curable organopolysiloxane composition and electrical/electronic device 美国陶氏有机硅公司 2020-12-15 CN disclosed
CN-104837930-B Curable silicone composition and optical semiconductor device 杜邦东丽特殊材料株式会社 2020-10-16 CN disclosed