SCHEMBL28746434

SCHEMBL28746434

CCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)n1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 2/20 0.56
GABRA2 P47869 4/20 0.54
GABRB2 P47870 4/20 0.54
TARBP2 Q15633 1/20 0.53
KMT2A Q03164 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
MDM2 Q00987 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALPL P05186 1/20 0.47

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
SCHEMBL5937245 0.86 GABRA2 (0.61) MAPTKDM4EALDH1A1SMN1; SMN2GABRA2
SCHEMBL25328154 0.86 CYP1A2 (0.66) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL29565728 0.84 TRPM8 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL28746466 0.84 TRPM8 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL25328209 0.83 KDM4E (0.56) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL28746452 0.81 CYP1A2 (0.58) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL4785430 0.80 GABRA2 (0.48) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL28746461 0.78 MAPK1 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL25325869 0.77 F11 (0.56) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL25327136 0.75 F11 (0.73) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A

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-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN disclosed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN disclosed