SCHEMBL29119970

SCHEMBL29119970

O=C(c1ccc(-c2cc[c]c(F)c2)cc1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.54
HPGD P15428 3/20 0.52
PHGDH O43175 1/20 0.51
JAK2 O60674 1/20 0.51
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
MLYCD O95822 1/20 0.48
PKM P14618 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HDAC4 P56524 1/20 0.47
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29119969 0.89 L3MBTL3 (0.61) EPHX2MEN1KMT2AHRH3ALDH1A1
SCHEMBL425630 0.85 PKM (0.54) HPGDPHGDHEPHX2KMT2APKM
SCHEMBL29119937 0.84 PHGDH (0.58) ERN1HPGDPHGDHJAK2MEN1
SCHEMBL29119932 0.84 ERN1 (0.54) ERN1HPGDPHGDHJAK2EPHX2
SCHEMBL5318815 0.82 PHGDH (0.61) ERN1HPGDPHGDHJAK2KMT2A
SCHEMBL29119933 0.81 KMT2A (0.57) ERN1HPGDPHGDHJAK2MEN1
SCHEMBL29119963 0.81 HPGD (0.49) ERN1HPGDPHGDHJAK2MEN1
SCHEMBL8167348 0.81 ERN1 (0.69) ERN1HPGDPHGDHJAK2EPHX2
SCHEMBL8172365 0.80 EPHX2 (0.71) ERN1HPGDPHGDHEPHX2MEN1
SCHEMBL13952065 0.78 HPGD (0.65) ERN1HPGDPHGDHJAK2EPHX2

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
CN-117203211-A Imidazo thiazole derivative, preparation method and application thereof 中国海洋大学 2023-12-08 CN disclosed