SCHEMBL3574076

SCHEMBL3574076

CCCCN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1NC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.52
HDAC6 Q9UBN7 8/20 0.52
HDAC3 O15379 5/20 0.49
HDAC2 Q92769 5/20 0.49
LTB4R2 Q9NPC1 3/20 0.49
HSP90AA1 P07900 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3587595 0.84 C5AR1 (0.49) HDAC1HDAC6LPAR1LPAR5
SCHEMBL3575452 0.81 KMT2A (0.42) HSP90AA1
SCHEMBL3579507 0.79 HDAC8 (0.41) HDAC1HDAC6HDAC8HDAC11
SCHEMBL3578799 0.79 TP53 (0.39) LPAR1LPAR5
SCHEMBL3570707 0.79 C5AR1 (0.39) HSP90AA1LPAR1LPAR5
SCHEMBL3581107 0.78 RAB9A (0.37)
SCHEMBL3575602 0.78 LPAR1 (0.38) HDAC1HDAC6HDAC11LPAR1LPAR5
SCHEMBL3577669 0.78 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2LTB4R2
SCHEMBL3583652 0.77 EPHX2 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3581450 0.77 MEP1B (0.41) LPAR1LPAR5

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