SCHEMBL28575733

SCHEMBL28575733

O=C(OCCCBr)c1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
APP P05067 1/20 0.35
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
RECQL P46063 1/20 0.31
SERPINE1 P05121 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3008544 0.84 LMNA (0.54) LMNATSHRKDM4EALDH1A1CYP1A2
SCHEMBL3004724 0.83 LMNA (0.49) LMNATSHRKDM4EALDH1A1CYP1A2
SCHEMBL3006729 0.81 LMNA (0.50) LMNATSHRKDM4EALDH1A1CYP3A4
SCHEMBL2995184 0.81 LMNA (0.50) LMNATSHRKDM4EALDH1A1CYP3A4
SCHEMBL3010778 0.81 LMNA (0.50) LMNATSHRKDM4EALDH1A1CYP3A4
SCHEMBL13092513 0.81 LMNA (0.50) LMNATSHRKDM4EALDH1A1CYP3A4
SCHEMBL14742161 0.80 GAA (0.51) LMNAAPPTSHRKDM4EALDH1A1
SCHEMBL25475161 0.80 FNTA (0.33) LMNAAPPALDH1A1MAPTSMN1; SMN2
SCHEMBL3015836 0.80 ALDH1A1 (0.44) LMNATSHRKDM4EALDH1A1CYP1A2
SCHEMBL9212743 0.80 LMNA (0.33) LMNAAPPALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336944-B Tripterine imidazole derivative and preparation method and application thereof 中国药科大学 2021-04-27 CN disclosed