SCHEMBL9957348

SCHEMBL9957348

CC(C)(C)c1ccc(CNCCn2ccc(-c3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.48
HDAC3 O15379 5/20 0.48
HDAC4 P56524 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC5 Q9UQL6 5/20 0.48
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9958790 0.78 CA1 (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27753624 0.71 CYP19A1 (0.47) NPSR1MAPTALDH1A1HTTKMT2A
SCHEMBL17273861 0.71 KMT2A (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16701588 0.71 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL9977895 0.70 PDE10A (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8817130 0.70 KMT2A (0.62) NPSR1MAPTXBP1ALDH1A1HTT
SCHEMBL25381118 0.70 CA1 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3240039 0.70 GAA (0.67) MAPTALDH1A1KMT2AKDM4EMITF
SCHEMBL13624115 0.70 ALDH1A1 (0.50) NPSR1MAPTALDH1A1HTTKMT2A
SCHEMBL15338801 0.69 KMT2A (0.60) NPSR1MAPTALDH1A1KMT2AKDM4E

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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed