SCHEMBL8960189

SCHEMBL8960189

C=C=C1N=Cc2cc(OCCC)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PDK2 Q15119 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
SLC2A1 P11166 1/20 0.36
MAPK13 O15264 1/20 0.35
GCGR P47871 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL8960094 0.94 CYP3A4 (0.41) KMT2AMEN1CA12CA1CA2
SCHEMBL8959929 0.88 NQO1 (0.39) KMT2AMEN1CA12CA1CA6
SCHEMBL7756219 0.70 KMT2A (0.43) KMT2AMEN1CA12CA1CA2
SCHEMBL338731 0.67 LTA4H (0.60) KMT2AMEN1CA12CA1CA2
SCHEMBL8959916 0.66 MAOA (0.40) KMT2AMEN1CA12CA1CA2
SCHEMBL22325684 0.65 CA12 (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL8560597 0.64 MAPT (0.49) KMT2AMEN1CA12CA1CA2
1,4-Dipropoxybenzene SCHEMBL122039 0.64 LTA4H (0.67) KMT2AMEN1CA12CA1CA2
SCHEMBL4887538 0.64 SLC2A1 (0.48) KMT2AMEN1CA12CA1CA2
SCHEMBL5248264 0.64 LTA4H (0.43) KMT2AMEN1CA12CA1CA2

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-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed