SCHEMBL20078890

SCHEMBL20078890

COC(=O)Nc1nn(C)c2c(C(C)C)ccc(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ S1PR2 O95136 3/20 0.33
▸ AGPAT2 O15120 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ MAPK1 P28482 3/20 0.32
▸ LPAR1 Q92633 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 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
SCHEMBL19788777 0.87 ALDH1A1 (0.41) MAPTGAAALDH1A1S1PR2MEN1
SCHEMBL16006436 0.83 AGPAT2 (0.37) MAPTGAAALDH1A1AGPAT2MEN1
SCHEMBL24997637 0.83 KMT2A (0.42) MAPTGAAALDH1A1S1PR2MEN1
SCHEMBL22885167 0.80 MAPT (0.33) MAPTGAAALDH1A1AGPAT2MAPK1
SCHEMBL22885997 0.80 — —
SCHEMBL20079062 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL19999745 0.77 L3MBTL1 (0.37) —
SCHEMBL19788717 0.76 CCR4 (0.33) —
SCHEMBL20079065 0.75 CCR4 (0.33) —
SCHEMBL24999006 0.74 HTT (0.33) —

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-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
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