SCHEMBL20110771

SCHEMBL20110771

CCOC(=O)Cc1ccc2nc(NC(=O)CC(C)(C)I)n(-c3ccc(F)cc3)c2c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL17583023 0.93 POLB (0.39) POLBPTGS2MEN1KMT2ATSHR
SCHEMBL30659085 0.93 POLB (0.39) POLBPTGS2MEN1KMT2ATSHR
SCHEMBL21580986 0.81 POLB (0.38) POLBPTGS2MEN1KMT2ATSHR
SCHEMBL17582768 0.80 ALDH1A1 (0.34) POLBMEN1KMT2AHPGDHTT
SCHEMBL17583068 0.78 PTGS2 (0.46) POLBPTGS2MEN1KMT2ATSHR
SCHEMBL25922234 0.78 NR3C1 (0.33) POLBMEN1KMT2ATSHRHPGD
SCHEMBL17583057 0.77 HPGD (0.36) MEN1KMT2AHPGDHTTNPSR1
SCHEMBL21148154 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL30659144 0.75 MAPT (0.38) POLBMEN1KMT2AHPGDHTT
SCHEMBL17582767 0.75 MAPT (0.38) POLBMEN1KMT2AHPGDHTT

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
WO-2018081825-A1 BENZOIMIDAZOL-1, 2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2018-05-03 — — WO disclosed
Send feedback