SCHEMBL29763553

SCHEMBL29763553

COc1ccc(Br)c2cc(C(C)(C)C)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
NQO2 P16083 5/20 0.36
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 3/20 0.34
POLB P06746 3/20 0.34
CYP19A1 P11511 2/20 0.34
PKM P14618 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 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
SCHEMBL12755300 1.00 KDM4E (0.40) KDM4EHPGDNQO2ALDH1A1MEN1
SCHEMBL12755278 0.87 KDM4E (0.40) KDM4EHPGDNQO2ALDH1A1POLB
SCHEMBL12755285 0.86 KDM4E (0.51) KDM4EHPGDNQO2ALDH1A1MEN1
SCHEMBL15450918 0.81 KDM4E (0.42) KDM4EHPGDNQO2ALDH1A1MEN1
SCHEMBL12829337 0.81 HPGD (0.43) KDM4EHPGDNQO2ALDH1A1MEN1
SCHEMBL29763525 0.74 HPGD (0.35) KDM4EHPGDNQO2ALDH1A1CYP19A1
SCHEMBL28426043 0.73 ERN1 (0.47) KDM4EHPGDNQO2ALDH1A1MEN1
SCHEMBL28353145 0.73 KDM4E (0.39) KDM4EHPGDNQO2ALDH1A1MEN1
SCHEMBL830967 0.73 ALDH1A1 (0.43) KDM4EHPGDNQO2ALDH1A1KMT2A
SCHEMBL12755274 0.70 ITK (0.45) KDM4EHPGDNQO2ALDH1A1MEN1

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
EP-4288424-A1 NOVEL HETEROARYL-SUBSTITUTED IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-13 EP disclosed
WO-2022167631-A1 NOVEL HETEROARYL-SUBSTITUTED IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-11 WO disclosed