SCHEMBL11624494

SCHEMBL11624494

Cc1ccc(-c2coc3c(C#N)cccc23)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ AR P10275 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PSMB5 P28074 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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
SCHEMBL11556627 0.79 CA1 (0.39) ALDH1A1NPSR1TSHRALOX15ALOX12
SCHEMBL11625458 0.78 POLB (0.43) ALDH1A1ARKDM4EGAATP53
SCHEMBL11621083 0.74 MCL1 (0.46) ALDH1A1HPGDKDM4ETP53CYP1A2
SCHEMBL17940720 0.72 AR (0.42) ALDH1A1NPSR1ARTSHREGLN2
SCHEMBL29642877 0.72 AR (0.42) ALDH1A1NPSR1ARTSHREGLN2
SCHEMBL11548879 0.71 MIF (0.48) ALDH1A1NPSR1HPGDKDM4EHSD17B10
SCHEMBL23624587 0.71 AR (0.48) ALDH1A1NPSR1ARTSHRHPGD
SCHEMBL23625545 0.70 AR (0.43) ALDH1A1NPSR1ARTSHRCYP11B1
SCHEMBL11641329 0.69 LMNA (0.36) ALDH1A1NPSR1TSHRHPGDGAA
SCHEMBL11623143 0.69 ALDH1A1 (0.41) ALDH1A1NPSR1ALOX15HPGDKDM4E

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
US-4124603-A ANTIMICROBIAL RIKER LABORATORIES, INC. (US) 1978-11-07 — — US disclosed
US-4067993-A Antimicrobial 2-nitro-3-phenylbenzofurancarboxylic acids RIKER LABORATORIES, INC. (US) 1978-01-10 — — US disclosed
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