SCHEMBL3577993

SCHEMBL3577993

CCCCN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cc(Cl)ccc1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.47
SERPINE1 P05121 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
LTB4R2 Q9NPC1 1/20 0.40
SOAT1 P35610 1/20 0.39
PPARG P37231 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
F10 P00742 3/20 0.39
NCOR2 Q9Y618 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLKB1 P03952 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL3569921 0.89 SERPINE1 (0.47) SERPINE1KDM4EHSD17B10PPARGNR1H4
SCHEMBL3575564 0.85 SERPINE1 (0.43) SERPINE1KDM4EHSD17B10PPARGNR1H4
SCHEMBL3569048 0.84 SERPINE1 (0.42) SERPINE1KDM4EHSD17B10PPARGNR1H4
SCHEMBL3569791 0.84 LPAR1 (0.43) SERPINE1KDM4EHSD17B10NR1H4SMN1; SMN2
SCHEMBL3578904 0.82 LMNA (0.44) SERPINE1KDM4EHSD17B10HDAC1HDAC6
SCHEMBL3581404 0.79 CNR1 (0.43) SERPINE1KDM4EHSD17B10PPARGNR1H4
SCHEMBL3581531 0.79 C5AR1 (0.43) HSP90AA1SERPINE1KDM4EF10LMNA
SCHEMBL3584396 0.78 C5AR1 (0.44) SERPINE1KDM4EF10LMNAHTT
SCHEMBL3576379 0.77 HSP90AA1 (0.46) HSP90AA1HDAC1HDAC6HDAC3HDAC2
SCHEMBL3581435 0.76 TP53 (0.41) HSP90AA1SERPINE1SOAT1F10LMNA

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