SCHEMBL28958748

SCHEMBL28958748

CCCCCCNCc1csc(C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HRH1 P35367 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 0.36
ACKR3 P25106 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL12667263 0.76 HRH1 (0.41) HRH1
SCHEMBL28958745 0.73 HPGD (0.56) HRH4HRH3LMNAACKR3ALDH1A1
SCHEMBL28958749 0.71 HDAC1 (0.47) HRH4HRH3LMNACYP1A2CYP2D6
SCHEMBL517979 0.69 KCNH2 (0.58) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL15199526 0.66 HRH1 (0.41) HRH1ALDH1A1MEN1KMT2ANPC1
SCHEMBL1951197 0.66 HRH4 (0.42) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL1953294 0.66 HRH4 (0.42) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL1953949 0.66 HRH4 (0.42) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10748421 0.62 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9637156 0.62 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2

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