SCHEMBL3581012

SCHEMBL3581012

CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2c(N)c(Cl)cc(Cl)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.37
SLC2A1 P11166 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MCL1 Q07820 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL3584856 0.90 LMNA (0.39) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL3589427 0.89 MCL1 (0.38) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL3574614 0.87 HDAC8 (0.39) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL12521229 0.87 SLC2A1 (0.43) HDAC8HDAC1SLC2A1HDAC11HDAC6
SCHEMBL3573419 0.87 GRM2 (0.39) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL3586114 0.86 LMNA (0.41) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL3580861 0.85 MCL1 (0.38) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL3585062 0.85 LMNA (0.40) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL12521074 0.85 SLC2A1 (0.40) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL12520876 0.85 HDAC8 (0.39) HDAC8MEN1KMT2ALMNACYP1A2

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