SCHEMBL14918889

SCHEMBL14918889

CC(C)c1ccc(NC(=O)C(C)(C)CCCCc2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC4 P56524 9/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HDAC6 Q9UBN7 5/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14918896 0.89 MEN1 (0.41) MEN1KMT2ATDP1LMNAHTT
SCHEMBL14918747 0.87 HDAC6 (0.48) MEN1KMT2ALMNAHTTHDAC4
SCHEMBL14919176 0.86 PDK1 (0.45) MEN1KMT2ATDP1LMNAHTT
SCHEMBL14919193 0.85 CNR1 (0.46) MEN1KMT2ADGAT1ALDH1A1HDAC4
SCHEMBL14918741 0.84 CNR1 (0.45) MEN1KMT2ADGAT1ALDH1A1HDAC4
SCHEMBL14918740 0.84 CNR1 (0.45) MEN1KMT2ADGAT1ALDH1A1HDAC4
SCHEMBL14918753 0.84 CNR1 (0.45) MEN1KMT2ADGAT1ALDH1A1HDAC4
SCHEMBL14918418 0.83 RAB9A (0.46) MEN1KMT2ADGAT1LMNAALDH1A1
SCHEMBL14918730 0.82 HDAC6 (0.40) LMNAHTTHDAC4HDAC6HDAC1
SCHEMBL14918928 0.81 HDAC4 (0.45) MEN1KMT2ALMNAHTTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
US-8871770-B2 Carboxamide compounds and methods for using the same MIDCAP FINANCIAL TRUST 2014-10-28 US disclosed
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed