SCHEMBL3577569

SCHEMBL3577569

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 8/20 0.36
CHRNA7 P36544 1/20 0.36
KLKB1 P03952 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
HSP90AA1 P07900 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 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
SCHEMBL3573512 0.91 HDAC1 (0.36) C5AR1HDAC1HDAC6CYP3A4HSP90AA1
SCHEMBL3582301 0.86 NAMPT (0.40) HDAC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3583638 0.85 C5AR1 (0.41) C5AR1MEN1KMT2AF10CHRNA7
SCHEMBL3569329 0.85 C5AR1 (0.41) C5AR1MEN1KMT2AF10CHRNA7
SCHEMBL3576589 0.85 CHRNA7 (0.40) C5AR1MEN1KMT2ASMN1; SMN2F10
SCHEMBL3581889 0.85 C5AR1 (0.40) C5AR1MEN1KMT2AF10CHRNA7
SCHEMBL3584052 0.84 PTGER4 (0.43) CYP3A4LPAR1LPAR5PTGER4
SCHEMBL3584209 0.83 C5AR1 (0.45) C5AR1HDAC1HDAC6MEN1KMT2A
SCHEMBL3579477 0.80 MCHR1 (0.37) C5AR1MEN1KMT2AF10CHRNA7
SCHEMBL3574217 0.79 MCHR1 (0.37) C5AR1MEN1KMT2AF10CHRNA7

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