SCHEMBL14555879

SCHEMBL14555879

O=C(O)Cn1nc(C(F)(F)F)c2c1[C@@H]1CC1C2=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ TSHR P16473 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ AADAT Q8N5Z0 1/20 0.31
▸ POLQ O75417 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ HDAC9 Q9UKV0 1/20 0.30
▸ HDAC5 Q9UQL6 1/20 0.30
▸ CCR1 P32246 1/20 0.30

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
SCHEMBL14487939 1.00 LMNA (0.47) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL14487355 0.84 POLB (0.40) TSHRGAAALDH1A1HTTKDM4E
SCHEMBL20371748 0.84 POLB (0.40) TSHRGAAALDH1A1HTTKDM4E
SCHEMBL14487337 0.78 LMNA (0.47) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL23502063 0.75 — —
SCHEMBL14489168 0.75 LMNA (0.38) LMNATSHRNPSR1ALDH1A1POLQ
SCHEMBL22002215 0.73 LMNA (0.45) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL14484690 0.72 LMNA (0.53) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL14487433 0.72 LMNA (0.44) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL15995925 0.71 LMNA (0.43) LMNATSHRNPSR1GAAALDH1A1

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
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
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