SCHEMBL3589427

SCHEMBL3589427

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
LMNA P02545 2/20 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
PPARG P37231 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
SCHEMBL3580861 0.93 MCL1 (0.38) MCL1MEN1KMT2AHDAC8LMNA
SCHEMBL3574614 0.91 HDAC8 (0.39) MCL1MEN1KMT2AHDAC8LMNA
SCHEMBL3581012 0.89 HDAC8 (0.37) MCL1MEN1KMT2AHDAC8LMNA
SCHEMBL3584856 0.88 LMNA (0.39) MCL1MEN1KMT2AHDAC8LMNA
SCHEMBL3583628 0.88 MCL1 (0.40) MCL1MEN1KMT2AHDAC8LMNA
SCHEMBL3576028 0.86 MCL1 (0.39) MCL1MEN1KMT2AHDAC8LMNA
SCHEMBL12520884 0.86 TACR1 (0.40) MEN1KMT2AHDAC8LMNACYP1A2
SCHEMBL3576036 0.86 HDAC8 (0.39) MEN1KMT2AHDAC8HDAC1SLC2A1
SCHEMBL12521229 0.85 SLC2A1 (0.43) HDAC8HDAC1SLC2A1HDAC11HDAC6
SCHEMBL12521170 0.85 OPRM1 (0.44) MCL1MEN1KMT2AHDAC8LMNA

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