SCHEMBL28567393

SCHEMBL28567393

O=C(O)c1nnccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ATM Q13315 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIN1 Q13526 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HNF4A P41235 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37

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
SCHEMBL31033122 0.85 BCAT2 (0.47) KDM4EALDH1A1MAPTMAPK1CASP1
SCHEMBL34471968 0.79 ALPL (0.42) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL28929678 0.75 LMNA (0.50) LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL287699 0.74 KDM4E (0.57) KDM4EATMLMNAALDH1A1MAPT
SCHEMBL8891228 0.74 BACE1 (0.44) KDM4EALDH1A1MAPTMAPK1HNF4A
SCHEMBL22588702 0.74 SMARCA2 (0.53) LMNAALDH1A1MAPK1MAP4K4NPC1
Hydrochloric Acid SCHEMBL27209691 0.72 SMARCA2 (0.52) LMNAALDH1A1CYP1A2MAPK1CYP2C19
SCHEMBL3495327 0.72 KDM4E (0.50) KDM4EATMLMNAALDH1A1MAPT
SCHEMBL2001892 0.72 KDM4E (0.50) KDM4EATMLMNAALDH1A1MAPT
SCHEMBL352338 0.71 HCAR2 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2CYP1A2

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-112955012-A Compositions comprising a pyridine carboxylate herbicide and a plant growth regulator 科迪华农业科技有限责任公司 2021-06-11 — — CN disclosed
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