SCHEMBL3583652

SCHEMBL3583652

CNc1ccccc1C(=O)N(CCc1cccc(C(F)(F)F)c1F)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC11 Q96DB2 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ESRRG P62508 2/20 0.35
CD38 P28907 1/20 0.35

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
SCHEMBL3581107 0.88 RAB9A (0.37) HCRTR1HCRTR2TP53MAPTKMT2A
SCHEMBL3575602 0.84 LPAR1 (0.38) EPHX2LPAR1LPAR5HCRTR1HCRTR2
SCHEMBL3579507 0.82 HDAC8 (0.41) HDAC6HDAC11KMT2AMEN1HDAC1
SCHEMBL3587595 0.79 C5AR1 (0.49) LPAR1LPAR5HDAC6KMT2AMEN1
SCHEMBL3578799 0.78 TP53 (0.39) EPHX2LPAR1LPAR5TP53MAPT
SCHEMBL3570707 0.78 C5AR1 (0.39) LPAR1LPAR5TP53MAPTKMT2A
SCHEMBL3570220 0.78 KDM5A (0.40) EPHX2LPAR1LPAR5HCRTR1HCRTR2
SCHEMBL3574076 0.77 HDAC1 (0.52) LPAR1LPAR5HDAC6HDAC11HDAC1
SCHEMBL3575452 0.76 KMT2A (0.42) KMT2AMEN1ALDH1A1ESRRGNR1H4
SCHEMBL3581450 0.76 MEP1B (0.41) LPAR1LPAR5HCRTR1HCRTR2MAPT

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