SCHEMBL28301248

SCHEMBL28301248

COc1ccc(CNc2cc(-c3ccccc3)n(-c3ccccc3-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CLK4 Q9HAZ1 5/20 0.47
DYRK1A Q13627 2/20 0.45
HRH1 P35367 2/20 0.45
HRH4 Q9H3N8 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ACP1 P24666 1/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KIT P10721 1/20 0.43
PTGDR Q13258 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL28873761 0.87 NPSR1 (0.44) GAAMEN1KMT2AHPGDMAPT
SCHEMBL28299555 0.81 HTR1A (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28847505 0.80 CYP1A2 (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28299743 0.79 RAB9A (0.53) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL28847584 0.79 RPA1 (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28301021 0.78 CA1 (0.55) RAB9A
SCHEMBL28299729 0.78 NPC1 (0.46) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL28847493 0.78 GAA (0.40) GAA
SCHEMBL28300981 0.77 CCKAR (0.45) RAB9A
SCHEMBL28301083 0.77 CA1 (0.46) MEN1KMT2AMAPTNPC1RAB9A

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-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 CN disclosed
CN-109890822-A INHIBITORS OF CELLULAR METABOLIC PROCESSES 安吉奥斯医药品有限公司 2019-06-14 CN disclosed