SCHEMBL12192595

SCHEMBL12192595

CCCCC(CC)c1cc(=O)nc(N)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
BACE1 P56817 1/20 0.39
XDH P47989 3/20 0.36
SCN9A Q15858 2/20 0.33
SCN5A Q14524 1/20 0.33
GPR84 Q9NQS5 4/20 0.33
PNP P00491 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
HMGCR P04035 1/20 0.31
MAPT P10636 1/20 0.31
DHFR P00374 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2217785 0.78 KDM4E (0.51) KDM4EABL1RIN1BACE1XDH
SCHEMBL12513506 0.71 KDM4E (0.35) KDM4EABL1RIN1BACE1XDH
SCHEMBL25129360 0.69 NR3C1 (0.30)
SCHEMBL3723702 0.69 BACE1 (0.44) KDM4EABL1RIN1BACE1XDH
SCHEMBL1123602 0.68 GPR84 (0.58) GPR84
SCHEMBL19772975 0.67 GPR84 (0.51) GPR84MAPT
SCHEMBL908315 0.62
SCHEMBL9227391 0.62 KDM4E (0.42) KDM4EMAPTGAA
SCHEMBL21024570 0.62 CYP1A2 (0.40) HMGCRMAPT
SCHEMBL26772675 0.62 KMT2A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006364-B2 Supramolecular polymers from low-melting, easily processable building blocks SUPRAPOLIX B.V. (NL) 2015-04-14 US disclosed
US-9006364-B2 Supramolecular polymers from low-melting, easily processable building blocks SUPRAPOLIX B.V. (NL) 2015-04-14 US disclosed
EP-1534688-B1 MONOMERS CAPABLE OF FORMING FOUR HYDROGEN BRIDGES AND SUPRAMOLECULAR POLYMERS FORMED BY COPOLYMERIZATION OF THESE MONOMERS WITH REGULAR MONOMERS SUPRAPOLIX BV (NL) 2014-10-29 EP disclosed
US-20140142256-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2014-05-22 US disclosed
US-20140142256-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2014-05-22 US disclosed
EP-2087027-B1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX BV (NL) 2011-10-05 EP disclosed
US-20100076147-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2010-03-25 US disclosed
US-20100076147-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2010-03-25 US disclosed
EP-1486539-B1 Self-assembling dyes AGFA GRAPHICS NV (BE) 2009-08-26 EP disclosed
WO-2008063057-A2 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2008-05-29 WO disclosed