SCHEMBL3586388

SCHEMBL3586388

CNc1c(F)cc(Cl)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 3/20 0.38
ESRRB O95718 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
HSP90AA1 P07900 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
C5AR1 P21730 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CENPE Q02224 4/20 0.34
EPHX2 P34913 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33

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
SCHEMBL3584266 0.88 HDAC8 (0.40) HDAC8HDAC6C5AR1HDAC11
SCHEMBL3579634 0.84 SERPINE1 (0.40) ESRRGESRRBNR1H4HSP90AA1SIGMAR1
SCHEMBL3583634 0.82 SERPINE1 (0.39) ESRRGESRRBNR1H4HSP90AA1TP53
SCHEMBL3577419 0.81 NR1H4 (0.37) ESRRGESRRBNR1H4SIGMAR1TP53
SCHEMBL3576692 0.81 ESRRG (0.37) ESRRGESRRBNR1H4HSP90AA1SIGMAR1
SCHEMBL3575452 0.81 KMT2A (0.42) ESRRGESRRBNR1H4HSP90AA1SIGMAR1
SCHEMBL3570707 0.80 C5AR1 (0.39) ESRRGESRRBNR1H4HSP90AA1TP53
SCHEMBL3574285 0.80 ESRRG (0.36) ESRRGESRRBNR1H4HSP90AA1SIGMAR1
SCHEMBL12521166 0.80 ESRRG (0.44) ESRRGESRRBNR1H4SIGMAR1TP53
SCHEMBL12521072 0.80 TP53 (0.39) ESRRGESRRBNR1H4HSP90AA1TP53

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