SCHEMBL3579507

SCHEMBL3579507

CNc1ccccc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.41
HDAC1 Q13547 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
KMT2A Q03164 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC2A1 P11166 1/20 0.40
NAMPT P43490 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGES O14684 2/20 0.39
MEN1 O00255 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL3576626 0.90 RXFP1 (0.41) HDAC8HDAC1RXFP1KMT2AHDAC11
SCHEMBL3575609 0.89 LMNA (0.43) HDAC8HDAC1TRPV1KMT2AHDAC11
SCHEMBL3570220 0.87 KDM5A (0.40) KMT2ASLC2A1PPARGPPARANR1H4
SCHEMBL3575602 0.87 LPAR1 (0.38) HDAC1KMT2AHDAC11HDAC6PPARG
SCHEMBL3581450 0.85 MEP1B (0.41) KMT2ASLC2A1PTGESMEN1PPARG
SCHEMBL3576619 0.85 SLC2A1 (0.43) HDAC8HDAC1TRPV1RXFP1KMT2A
SCHEMBL3579370 0.85 SLC2A1 (0.39) HDAC8HDAC1TRPV1KMT2AHDAC11
SCHEMBL3575452 0.84 KMT2A (0.42) KMT2AMEN1PPARGPPARANR1H4
SCHEMBL12521085 0.84 HDAC8 (0.42) HDAC8HDAC1KMT2AHDAC11HDAC6
SCHEMBL3570707 0.84 C5AR1 (0.39) KMT2APPARGNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed