SCHEMBL25252559

SCHEMBL25252559

COC(=O)c1ccc(COc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.74
HRH3 Q9Y5N1 1/20 0.59
MAPT P10636 3/20 0.58
TP53 P04637 1/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
CYP3A4 P08684 4/20 0.52
CYP26A1 O43174 1/20 0.52
BAZ2B Q9UIF8 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52

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
SCHEMBL1022965 0.86 HTT (1.00) HTTMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL25297956 0.81 HRH3 (0.61) HRH3CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL11350421 0.80 RAB9A (0.82) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10236929 0.80 RAB9A (0.82) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27651636 0.78 CYP3A4 (0.70) HRH3MEN1KMT2AADRB2ADRB1
SCHEMBL3996341 0.77 ADRB2 (0.51) HTTHRH3MAPTTP53ADRB2
SCHEMBL5681498 0.77 PORCN (0.60) HTTHRH3MAPTNPC1RAB9A
SCHEMBL3030365 0.76 ADRB2 (0.58) HTTHRH3SMN1; SMN2MEN1KMT2A
SCHEMBL25252707 0.76 CYP2D6 (0.56) HRH3LMNACYP3A4CYP26A1CYP1A2
SCHEMBL3729907 0.76 NPC1 (0.75) HTTMAPTNPC1RAB9ASMN1; SMN2

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
JP-2023083178-A PHENYLAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION 学校法人常翔学園 2023-06-15 JP disclosed