SCHEMBL29095923

SCHEMBL29095923

Cc1cc(C#N)cc(N)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR35 Q9HC97 4/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
LMNA P02545 1/20 0.34
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
NOTUM Q6P988 2/20 0.33
GAA P10253 1/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL3758179 0.87 CYP3A4 (0.45) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL21826384 0.79 ALDH1A1 (0.44) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL22890471 0.79 FFAR1 (0.39) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL29096098 0.78 GPR35 (0.41) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL21937817 0.77 POLB (0.44) GPR35TTRALBMEN1KMT2A
SCHEMBL16563793 0.76 GPR35 (0.39) ALDH1A1GPR35MRGPRX4TTRALB
SCHEMBL29669953 0.75 KDM4E (0.59) GPR35MRGPRX4TTRALBKDM4E
SCHEMBL951068 0.75 KDM4E (0.59) GPR35MRGPRX4TTRALBKDM4E
SCHEMBL3125875 0.75 TTR (0.40) CYP3A4ALDH1A1SMN1; SMN2GPR35MRGPRX4
SCHEMBL8618720 0.75 KDM4E (0.53) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2

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-116969954-B Tricyclic fused heterocyclic compounds containing lactam and application thereof 广东省农业科学院农业质量标准与监测技术研究所 2023-11-28 CN disclosed
CN-116969954-A Tricyclic fused heterocyclic compounds containing lactam and application thereof 广东省农业科学院农业质量标准与监测技术研究所 2023-10-31 CN disclosed