SCHEMBL15314662

SCHEMBL15314662

COc1ccc(C(C)(C)C)cc1-c1cc2ccccc2nc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TLR8 Q9NR97 1/20 0.42
▸ ALPL P05186 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NQO2 P16083 2/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ CTSA P10619 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ RECQL P46063 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL12761403 0.86 MEN1 (0.46) MEN1KMT2ATLR8ALPLMAPK14
SCHEMBL15314588 0.85 MEN1 (0.45) MEN1KMT2ATLR8MAPK14ALDH1A1
SCHEMBL12833219 0.82 MEN1 (0.42) MEN1KMT2ATLR8ALPLMAPK14
SCHEMBL15314601 0.76 NQO1 (0.43) MEN1KMT2AMAPK14ALDH1A1SMN1; SMN2
SCHEMBL12761525 0.76 NQO1 (0.43) MEN1KMT2AMAPK14ALDH1A1SMN1; SMN2
SCHEMBL2051020 0.76 ALDH1A1 (0.45) MEN1KMT2AALPLALDH1A1SMN1; SMN2
SCHEMBL28284738 0.73 TLR8 (0.62) MEN1KMT2ATLR8ALDH1A1SMN1; SMN2
SCHEMBL12832932 0.73 MAPK14 (0.43) MEN1KMT2AMAPK14ALDH1A1SMN1; SMN2
SCHEMBL15829537 0.71 AMY1A (0.59) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL14093047 0.68 TNFRSF1A (0.47) MAPK14METAP2MAPK1

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
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 — — EP disclosed
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