SCHEMBL3577669

SCHEMBL3577669

CCCCN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1nc(Cl)ccc1NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.43
HDAC6 Q9UBN7 7/20 0.43
HSP90AA1 P07900 2/20 0.41
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 4/20 0.41
NCOR2 Q9Y618 1/20 0.39
CCR9 P51686 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
SOAT1 P35610 1/20 0.36
LMNA P02545 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
LPAR1 Q92633 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
SCHEMBL3574076 0.78 HDAC1 (0.52) HDAC1HDAC6HSP90AA1HDAC3HDAC2
SCHEMBL3576379 0.74 HSP90AA1 (0.46) HDAC1HDAC6HSP90AA1HDAC3HDAC2
SCHEMBL3577993 0.73 HSP90AA1 (0.47) HDAC1HDAC6HSP90AA1HDAC3HDAC2
SCHEMBL10202968 0.72 LMNA (0.59) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3272609 0.70 GRM5 (0.41) HDAC1HDAC6HSP90AA1HDAC3HDAC2
SCHEMBL3584396 0.69 C5AR1 (0.44) CCR9LMNALPAR1LPAR5
SCHEMBL3581193 0.68 CCR9 (0.39) CCR9LMNA
SCHEMBL12443251 0.68 EGFR (0.57) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL12521128 0.67 HDAC1 (0.47) HDAC1HDAC6HSP90AA1HDAC3HDAC2
SCHEMBL3578978 0.67 CNR1 (0.43) HDAC6HDAC3LMNAHDAC8LPAR1

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