SCHEMBL28064381

SCHEMBL28064381

COc1cc(C2CCCCC2)ccc1NC(=O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ DHODH Q02127 2/20 0.47
▸ RORC P51449 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CACNA1H O95180 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44

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
SCHEMBL21499324 0.80 DHODH (0.73) CSF1RMEN1KMT2AALDH1A1MAPT
SCHEMBL28780838 0.75 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL21499309 0.73 DHODH (0.57) CSF1RMEN1KMT2AALDH1A1MAPT
SCHEMBL1599730 0.71 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL21468524 0.70 DHODH (0.70) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6101614 0.69 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL11674790 0.68 RORC (0.52) ALDH1A1MAPTRORCNPC1RAB9A
SCHEMBL11564250 0.68 RORC (0.52) ALDH1A1MAPTRORCNPC1RAB9A
SCHEMBL6102025 0.68 SMN1; SMN2 (0.54) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL11487284 0.68 MEN1 (0.51) MEN1KMT2A

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
CN-105566265-A Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC 2016-05-11 — — CN disclosed
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