SCHEMBL28958746

SCHEMBL28958746

c1nc(CNC2CCCCC2)cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
PABPC1 P11940 1/20 0.42
USP2 O75604 1/20 0.39
ACHE P22303 2/20 0.39
CXCR4 P61073 2/20 0.38
HTT P42858 2/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2413144 0.91 KDM4C (0.40) HRH3PABPC1KDM4CKDM4EALDH1A1
SCHEMBL17760501 0.73 SCN9A (0.37) HRH3
SCHEMBL3759484 0.72 DPP4 (0.32) HRH3
SCHEMBL28965124 0.70 DRD2 (0.44) HRH3PABPC1USP2ACHECXCR4
SCHEMBL28958743 0.70 PDE10A (0.45) HRH3PABPC1CXCR4HTTKDM4E
SCHEMBL31238944 0.69 CXCR4 (0.69) HRH3PABPC1USP2ACHECXCR4
SCHEMBL8778016 0.69 HPGD (0.55) HRH3USP2CXCR4KDM4EALDH1A1
SCHEMBL5863593 0.69 HPGD (0.55) HRH3USP2CXCR4KDM4EALDH1A1
SCHEMBL18884481 0.67
SCHEMBL28958765 0.67 CYP2D6 (0.41) HRH3PABPC1USP2ACHECXCR4

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-113264901-B Amino phenol oxygroup zinc complex containing 2-substituted thiazole-4-group and preparation method and application thereof 华东理工大学 2023-02-28 CN disclosed
CN-113264901-A Amino phenol oxygroup zinc complex containing 2-substituted thiazole-4-group and preparation method and application thereof 华东理工大学 2021-08-17 CN disclosed