SCHEMBL4489302

SCHEMBL4489302

COC(=O)CNC1CC[N]C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
TET2 Q6N021 1/20 0.33
RECQL P46063 1/20 0.32
TSHR P16473 4/20 0.32
METAP1 P53582 1/20 0.32
HSD17B10 Q99714 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
KMT2A Q03164 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
SCHEMBL555172 0.90 EPHX2 (0.45) EPHX2TET2RECQLTSHRMETAP1
SCHEMBL8851131 0.89 EPHX2 (0.42) EPHX2TET2RECQLTSHRMETAP1
SCHEMBL9031402 0.83 HRH3 (0.34) EPHX2GAA
SCHEMBL9031766 0.81 METAP1 (0.33) METAP1
SCHEMBL4450020 0.78
SCHEMBL4488482 0.77 METAP1 (0.41) METAP1
Hydrochloric Acid SCHEMBL76321 0.77 EPHX2 (0.47) EPHX2TET2RECQLTSHRMETAP1
SCHEMBL555793 0.76 KDM4E (0.40) EPHX2TSHRHSD17B10KDM4EALDH1A1
SCHEMBL1977433 0.75 EPHX2 (0.59) EPHX2KDM4EKMT2A
SCHEMBL7440501 0.75 EPHX2 (0.55) EPHX2TET2RECQLTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US claimed