SCHEMBL2334562

SCHEMBL2334562

C=CC(=O)NCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
TGM2 P21980 1/20 0.54
LMNA P02545 1/20 0.53
MKNK1 Q9BUB5 4/20 0.53
MKNK2 Q9HBH9 4/20 0.53
USP2 O75604 1/20 0.50
PDGFRA P16234 1/20 0.49
KDR P35968 1/20 0.49
CYP2A6 P11509 1/20 0.49
WNT3A P56704 1/20 0.46
CHRM4 P08173 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
NAMPT P43490 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL1124145 0.84 TGM2 (0.58) POLBTGM2LMNAPDGFRAKDR
SCHEMBL774098 0.84 USP2 (0.68) POLBLMNAUSP2RECQL
SCHEMBL31321078 0.84 USP2 (0.68) POLBLMNAUSP2RECQL
SCHEMBL31321074 0.84 USP2 (0.68) POLBLMNAUSP2RECQL
SCHEMBL1124538 0.84 TGM2 (0.61) TGM2
SCHEMBL19889047 0.84 TGM2 (0.65) TGM2LMNAHDAC3HDAC4HDAC1
SCHEMBL2570995 0.82 LMNA (0.62) POLBLMNAMKNK1MKNK2CYP2A6
SCHEMBL27823146 0.81 RECQL (0.69) POLBLMNAMKNK1MKNK2CYP2A6
SCHEMBL1124045 0.80 TGM2 (0.52) TGM2PDGFRAKDRWNT3ACHRM4
SCHEMBL933924 0.79 LMNA (0.61) POLBLMNAMKNK1MKNK2CYP2A6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP claimed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO claimed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP disclosed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO disclosed