SCHEMBL3578417

SCHEMBL3578417

CCC(=O)Nc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC1 Q13547 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CETP P11597 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL3582291 0.92 MCL1 (0.39) MCL1LMNASMN1; SMN2HDAC8MEN1
SCHEMBL3577275 0.91 MCL1 (0.39) MCL1LMNASMN1; SMN2HDAC8MEN1
SCHEMBL3581360 0.90 MCL1 (0.40) MCL1LMNASMN1; SMN2HDAC8MEN1
SCHEMBL3571223 0.90 MAPK14 (0.39) MCL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL3574035 0.87 MEP1B (0.36) LMNAALDH1A1MAPT
SCHEMBL3574431 0.87 MCL1 (0.43) MCL1
SCHEMBL3576028 0.85 MCL1 (0.39) MCL1LMNASMN1; SMN2HDAC8MEN1
SCHEMBL3580861 0.85 MCL1 (0.38) MCL1LMNASMN1; SMN2HDAC8MEN1
SCHEMBL3574236 0.83 LMNA (0.40) MCL1LMNASMN1; SMN2HDAC8MEN1
SCHEMBL3583628 0.83 MCL1 (0.40) MCL1LMNASMN1; SMN2HDAC8MEN1

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