SCHEMBL16948816

SCHEMBL16948816

O=C1CC(C(F)(F)F)c2c(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n[nH]c2N1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 12/20 0.56
▸ KDM4E B2RXH2 2/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.43
▸ SMO Q99835 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL16948785 0.90 LCAT (0.51) LCAT
SCHEMBL16803493 0.87 LCAT (0.45) LCATKDM4EABL1LMNAGPR119
SCHEMBL16948831 0.86 LCAT (0.56) LCAT
SCHEMBL18138559 0.81 LCAT (0.75) LCAT
SCHEMBL18138551 0.81 LCAT (0.75) LCAT
SCHEMBL18138562 0.81 LCAT (0.75) LCAT
SCHEMBL18138647 0.81 LCAT (0.75) LCAT
SCHEMBL18138646 0.81 LCAT (0.75) LCAT
SCHEMBL16948620 0.79 LCAT (0.56) LCAT
SCHEMBL16648612 0.78 LCAT (0.72) LCAT

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-2015111545-A1 CONDENSED PYRAZOLE DERIVATIVE 第一三共株式会社 2015-07-30 — — WO disclosed
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