SCHEMBL16487523

SCHEMBL16487523

Cc1ccc(-c2ncc(C)c(C3C(=O)C(C)(C)OC(C)(C)C3=O)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.36
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ TDP2 O95551 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31

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
SCHEMBL1160646 0.68 NPC1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11963670 0.67 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL8989108 0.66 MEN1 (0.44) ADORA3MEN1KMT2ATSHRALDH1A1
SCHEMBL10238098 0.64 NPC1 (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13041486 0.62 PPARA (0.31) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8989117 0.60 MEN1 (0.39) ADORA3MEN1KMT2ATSHRALDH1A1
SCHEMBL11689419 0.60 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL738443 0.59 CCR1 (0.46) ADORA3MEN1KMT2AALDH1A1MAPT
SCHEMBL15292158 0.59 MEN1 (0.56) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL28643702 0.59 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTKDM4E

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
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
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