SCHEMBL7992235

SCHEMBL7992235

COc1ccc(Cl)cc1NC(=O)C(C)CCNC1=C(C(=N)C(F)(F)F)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
CFTR P13569 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KCNT1 Q5JUK3 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL8004651 0.84 HPGD (0.52) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8003733 0.83 HPGD (0.51) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8006929 0.80 KLK7 (0.40) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL1007557 0.69 MAPT (0.73) LMNAMAPTKMT2AMEN1POLB
SCHEMBL13390934 0.67 KMT2A (0.68) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8930613 0.64 CRHBP (0.64) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL9468747 0.63 KMT2A (0.82) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL9471095 0.63 KMT2A (0.63) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL18500908 0.62 ALDH1A1 (0.74) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL2011023 0.62 MEN1 (1.00) LMNAMAPTKMT2AMEN1ALDH1A1

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-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed