SCHEMBL10048448

SCHEMBL10048448

CN(C)CCCNC(=O)C1CC2C=CC1C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 2/20 0.44
THRB P10828 1/20 0.44
ESR1 P03372 1/20 0.43
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FPR3 P25089 2/20 0.39
FPR2 P25090 2/20 0.39
DNM1 Q05193 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL14400824 1.00 LMNA (0.51) LMNAKDM4EEPHX2THRBESR1
SCHEMBL14611026 0.85 KDM4E (0.46) LMNAKDM4EEPHX2THRBESR1
SCHEMBL5395258 0.84 KDM4E (0.56) LMNAKDM4EEPHX2THRBESR1
SCHEMBL11064771 0.82 KDM4E (0.61) LMNAKDM4EEPHX2THRBESR1
SCHEMBL11064769 0.82 KDM4E (0.61) LMNAKDM4EEPHX2THRBESR1
SCHEMBL21389659 0.81 KDM4E (0.53) LMNAKDM4EEPHX2ESR1
SCHEMBL19786751 0.81 KDM4E (0.53) LMNAKDM4EEPHX2ESR1
SCHEMBL14392991 0.80 KDM4E (0.59) LMNAKDM4EEPHX2THRBESR1
SCHEMBL10124090 0.80 KDM4E (0.59) LMNAKDM4EEPHX2THRBESR1
SCHEMBL25361995 0.79 KDM4E (0.54) LMNAKDM4EEPHX2THRBESR1

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-8124050-B2 Method for coating the internal surface of a reaction vessel HAMMERSMITH IMANET LIMITED (GB) 2012-02-28 US disclosed
EP-1697047-B1 METHOD FOR COATING THE INTERNAL SURFACE OF A REACTION VESSEL HAMMERSMITH IMANET LTD (GB) 2009-06-17 EP disclosed