SCHEMBL8946417

SCHEMBL8946417

CCN(CC)c1ccc2c(c1)C1c3ccccc3NC1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.40
GAA P10253 5/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GRK6 P43250 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 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
SCHEMBL8946410 1.00 MEN1 (0.40) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8946407 1.00 MEN1 (0.40) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8946448 0.80 MAPT (0.34) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8946451 0.80 MAPT (0.34) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8946454 0.80 MAPT (0.34) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8946513 0.78 OPRM1 (0.38) MEN1KMT2AMAPTGAANPC1
SCHEMBL8946517 0.78 OPRM1 (0.38) MEN1KMT2AMAPTGAANPC1
SCHEMBL8946515 0.78 OPRM1 (0.38) MEN1KMT2AMAPTGAANPC1
SCHEMBL8946320 0.75 OPRM1 (0.42) MAPTGAAALDH1A1HSD17B10TP53
SCHEMBL8946330 0.75 OPRM1 (0.42) MAPTGAAALDH1A1HSD17B10TP53

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-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed