SCHEMBL28038401

SCHEMBL28038401

O=C(Cc1c[c]ccc1)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.69
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
PRMT1 Q99873 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 2/20 0.50
BCHE P06276 1/20 0.50

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
SCHEMBL752217 0.90 EPHX2 (0.69) EPHX2KMT2AMEN1PRMT1CA12
SCHEMBL4802418 0.84 MEN1 (0.66) EPHX2KMT2AMEN1PRMT1CA12
SCHEMBL1516167 0.82 EPHX2 (1.00) EPHX2KMT2AMEN1PRMT1CA12
SCHEMBL28043487 0.81 EPHX2 (0.76) EPHX2KMT2AMEN1PRMT1CA12
SCHEMBL694917 0.81 EPHX2 (0.76) EPHX2KMT2AMEN1PRMT1CA12
Hydrochloric Acid SCHEMBL27735879 0.81 EPHX2 (0.96) EPHX2KMT2AMEN1PRMT1CA12
SCHEMBL2568875 0.81 ALDH1A1 (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL10054999 0.79 EPHX2 (0.92) EPHX2KMT2AMEN1PRMT1CA12
SCHEMBL5462376 0.79 USP2 (0.53) EPHX2KMT2AMEN1MAPTHTT
SCHEMBL1570274 0.78 MEN1 (0.40) EPHX2KMT2AMEN1PRMT1MAPT

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
CN-103113386-B Nitrogen heterocyclic substituted-dihydro artemisinin derivative and application thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-12-23 CN claimed