SCHEMBL3579938

SCHEMBL3579938

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
ESRRG P62508 3/20 0.39
ESRRB O95718 1/20 0.38
MCHR1 Q99705 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
RCE1 Q9Y256 1/20 0.35
CNR1 P21554 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL3578978 0.92 CNR1 (0.43) ESRRGESRRBSMN1; SMN2MEN1KMT2A
SCHEMBL3577419 0.86 NR1H4 (0.37) MAPTTP53ESRRGESRRBMEN1
SCHEMBL3581360 0.85 MCL1 (0.40) SMN1; SMN2MEN1KMT2ALMNACNR1
SCHEMBL3583039 0.85 CNR1 (0.43) MAPTMCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL3577052 0.83 C5AR1 (0.37) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3581545 0.82 CNR1 (0.40) CNR1LPAR1LPAR5NR1H4EPHX2
SCHEMBL3583628 0.80 MCL1 (0.40) SMN1; SMN2MEN1KMT2ALMNACNR1
SCHEMBL3589192 0.80 PPARA (0.39) SMN1; SMN2RCE1LPAR1LPAR5KDM4E
SCHEMBL3580876 0.77 LPAR1 (0.36) SMN1; SMN2L3MBTL1RCE1CNR1LPAR1
SCHEMBL3582291 0.77 MCL1 (0.39) SMN1; SMN2MEN1KMT2ALMNACNR1

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