SCHEMBL7539813

SCHEMBL7539813

CCCCCCCCCCCN(CCCC)CCCCCCCCCCCCCNC(=O)C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.77
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA14 Q9ULX7 2/20 0.51
CA3 P07451 2/20 0.51
CA5A P35218 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
MLYCD O95822 1/20 0.46
KDM5A P29375 2/20 0.44
PHF8 Q9UPP1 2/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL7536039 1.00 EPHX1 (0.77) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7542772 0.98 EPHX1 (0.80) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7545639 0.98 EPHX1 (0.80) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7541904 0.98 EPHX1 (0.80) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7535349 0.98 EPHX1 (0.80) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7535768 0.92 EPHX1 (0.75) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7536111 0.92 EPHX1 (0.75) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7539126 0.92 EPHX1 (0.75) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7542355 0.92 EPHX1 (0.75) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7542534 0.90 EPHX1 (0.63) EPHX1MEN1KMT2AALDH1A1POLB

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-1200454-A1 BISPLATINUM COMPLEXES ACTIVE THROUGH THE ORAL ROUTE Novuspharma S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001009149-A1 BISPLATINUM COMPLEXES ACTIVE THROUGH THE ORAL ROUTE NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed