SCHEMBL30189372

SCHEMBL30189372

CCOC(=O)C=C(N)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
DHODH Q02127 1/20 0.44
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 5/20 0.41
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NLRP1 Q9C000 1/20 0.41
MEN1 O00255 1/20 0.41
NTSR1 P30989 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL1144241 0.87 MAPT (0.46) MAPTLMNACYP1A2CYP3A4MAOA
SCHEMBL30189336 0.87 LMNA (0.41) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL22886451 0.87 LMNA (0.41) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL1144240 0.87 MAPT (0.46) MAPTLMNACYP1A2CYP3A4MAOA
SCHEMBL30189419 0.87 MAPT (0.47) MAPTLMNACYP1A2CYP3A4MAOA
SCHEMBL20028730 0.87 MAPT (0.47) MAPTLMNACYP1A2CYP3A4MAOA
SCHEMBL28665696 0.87 SMN1; SMN2 (0.49) MAPTLMNACYP1A2CYP3A4MAOA
SCHEMBL1144606 0.86 MAPT (0.50) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1144604 0.86 MAPT (0.50) MAPTLMNANPSR1KMT2AGAA
SCHEMBL8227037 0.86 MAPT (0.50) MAPTLMNANPSR1KMT2AGAA

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-115636782-B Synthesis method of polyaryl substituted pyridine 浙江工业大学 2024-07-19 CN disclosed
CN-115636782-A Synthetic method of polyaryl substituted pyridine 浙江工业大学 2023-01-24 CN disclosed