SCHEMBL28459659

SCHEMBL28459659

CC(C)(C)OC(=O)Nc1ccc(Br)c(F)c1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.40
▸ AAK1 Q2M2I8 7/20 0.39
▸ ATR Q13535 1/20 0.39
▸ KCNQ4 P56696 1/20 0.39
▸ KCNQ5 Q9NR82 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL30038713 1.00 CYP17A1 (0.40) CYP17A1AAK1ATRKCNQ4KCNQ5
SCHEMBL22684078 0.93 CYP17A1 (0.38) CYP17A1AAK1KCNQ4KCNQ5NPC1
SCHEMBL24427976 0.88 CYP17A1 (0.42) CYP17A1AAK1KCNQ4KCNQ5NPC1
SCHEMBL6523050 0.87 ATR (0.40) CYP17A1AAK1ATRNPC1RAB9A
SCHEMBL29212741 0.84 ATR (0.39) CYP17A1AAK1ATRNPC1RAB9A
SCHEMBL30896204 0.84 ATR (0.39) CYP17A1AAK1ATRNPC1RAB9A
SCHEMBL28458867 0.84 KCNQ3 (0.41) CYP17A1AAK1KCNQ4KCNQ5NPC1
SCHEMBL24427982 0.84 CYP17A1 (0.40) CYP17A1AAK1ATRKCNQ4KCNQ5
SCHEMBL21468506 0.83 KCNQ4 (0.40) CYP17A1AAK1ATRKCNQ4KCNQ5
SCHEMBL30126132 0.81 CYP17A1 (0.40) CYP17A1AAK1ATRKCNQ4KCNQ5

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-111601799-B Fused imidazole derivatives as Il-17 modulators UCB生物制药有限责任公司 2023-06-09 — — CN disclosed
CN-111601799-A Fused imidazole derivatives as Il-17 modulators UCB生物制药有限责任公司 2020-08-28 — — CN disclosed
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