SCHEMBL28201857

SCHEMBL28201857

COc1ccc(-c2ccc(C(=O)Cl)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
PKM P14618 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PDE4B Q07343 5/20 0.55
PDE4D Q08499 3/20 0.53
NQO2 P16083 2/20 0.52
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL4896906 0.84 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EPKMCYP1A2
SCHEMBL4943612 0.83 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EPKMCYP1A2
SCHEMBL28511353 0.82 PDE4B (0.52) ALDH1A1MAPTKDM4EPKMCYP1A2
SCHEMBL31462930 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL3325905 0.80 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPKMHPGD
SCHEMBL13485760 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EPKMCYP1A2
SCHEMBL25003140 0.79 MAPT (0.57) ALDH1A1MAPTKDM4EPKMCYP1A2
SCHEMBL9477105 0.79 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EPKMHPGD
SCHEMBL28201855 0.79 SLC9A1 (0.59) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL221022 0.78 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPKMHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535371-B Guanidine-containing phenyl furan carboxamide compound and application thereof 华南农业大学 2025-02-18 CN disclosed
CN-116535371-A Guanidine-containing phenyl furan carboxamide compound and application thereof 华南农业大学 2023-08-04 CN disclosed
CN-110294749-B (S) -1, 3-thiazole phenyl furan thiocarbamate compound and preparation method and application thereof 华南农业大学 2022-01-25 CN disclosed
CN-109265452-B Substituted phenyl furan-2-mercaptothiazoline ketone compounds and preparation method and application thereof 华南农业大学 2021-08-03 CN disclosed
CN-110183428-B Furan thiocarbamate compound containing 1,2,3, 4-tetrazole and preparation method and application thereof 华南农业大学 2021-08-03 CN disclosed
CN-107674070-B Cyanoimine thiazolidine furan carboxamide compound and preparation method and application thereof 华南农业大学 2020-12-29 CN disclosed
CN-107674070-A A kind of cyano group imines thiazolidine furoyl amine compound and its preparation method and application 华南农业大学 2018-02-09 CN disclosed