SCHEMBL30772149

SCHEMBL30772149

COc1cccc(N2CCN(CCC(=O)Nc3nc(-c4ccccc4)cs3)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.66
MMP2 P08253 2/20 0.65
MMP8 P22894 2/20 0.65
MAPT P10636 4/20 0.63
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 3/20 0.59
LMNA P02545 2/20 0.59
USP2 O75604 1/20 0.59
TSHR P16473 1/20 0.59
GFER P55789 2/20 0.56
KDR P35968 2/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
APP P05067 1/20 0.55
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
THRB P10828 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL15403403 0.91 ACHE (0.74) ACHEMMP2MMP8MAPTTP53
SCHEMBL30173490 0.87 MMP2 (0.78) ACHEMMP2MMP8MAPTSMN1; SMN2
SCHEMBL27235580 0.87 MMP2 (0.78) ACHEMMP2MMP8MAPTSMN1; SMN2
SCHEMBL27821015 0.84 MMP2 (0.82) ACHEMMP2MMP8MAPTTP53
SCHEMBL24993423 0.83 ACHE (0.76) ACHEMMP2MMP8MAPTTP53
SCHEMBL15401066 0.81 KDR (0.74) ACHEMMP2MMP8MAPTSMN1; SMN2
SCHEMBL30173489 0.80 SMN1; SMN2 (0.67) MMP2MMP8MAPTSMN1; SMN2HTT
SCHEMBL24993422 0.80 SMN1; SMN2 (0.67) MMP2MMP8MAPTSMN1; SMN2HTT
SCHEMBL15401374 0.79 MMP2 (1.00) ACHEMMP2MMP8MAPTSMN1; SMN2
SCHEMBL16458931 0.79 MMP2 (0.86) MMP2MMP8SMN1; SMN2HTTLMNA

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
WO-2024027807-A1 USE OF AMINOTHIAZOLE DERIVATIVE IN PREPARING DRUG FOR IMMUNOLOGICAL INFLAMMATION 宁波亿诺药业有限公司 2024-02-08 WO disclosed