SCHEMBL5014244

SCHEMBL5014244

CCCCCCNC(=O)Nc1ccnc(=O)n1CCCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.43
ALOX12 P18054 1/20 0.43
ATM Q13315 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
NAAA Q02083 1/20 0.42

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
SCHEMBL5013050 0.95 EPHX1 (0.44) EPHX1HTTALDH1A1PKMSMN1; SMN2
SCHEMBL5010713 0.90 EPHX1 (0.40) EPHX1HTTALDH1A1PKMSMN1; SMN2
SCHEMBL5011358 0.85 NPSR1 (0.40) HTTALDH1A1SMN1; SMN2
SCHEMBL4133128 0.78 PKM (0.56) EPHX1HTTALDH1A1PKMSMN1; SMN2
SCHEMBL4125524 0.74 PKM (0.55) EPHX1HTTALDH1A1PKMSMN1; SMN2
SCHEMBL4251447 0.71 EPHX1 (0.48) EPHX1HTTALDH1A1SMN1; SMN2EPHX2
SCHEMBL4132285 0.70 MEN1 (0.58) EPHX1HTTALDH1A1SMN1; SMN2EPHX2
SCHEMBL4127216 0.70 MEN1 (0.58) EPHX1HTTALDH1A1SMN1; SMN2EPHX2
SCHEMBL4132087 0.70 MEN1 (0.58) EPHX1HTTALDH1A1SMN1; SMN2EPHX2
SCHEMBL4145849 0.70 MEN1 (0.58) EPHX1HTTALDH1A1SMN1; SMN2EPHX2

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
EP-1966283-A1 SUPRAMOLECULAR POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 2008-09-10 EP disclosed
WO-2007072000-A1 SUPRAMOLECULAR POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 2007-06-28 WO disclosed