SCHEMBL9845000

SCHEMBL9845000

CCCC(CN)(CCC)CCCN

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
KIF11 P52732 1/20 0.32
FDPS P14324 2/20 0.31
PDE3A Q14432 1/20 0.30
NFKB1 P19838 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
SCHEMBL21232835 0.95 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9187162 0.93 DNM1 (0.46) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL31621148 0.89 DNM1 (0.43) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL12761116 0.86 FDPS (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL31258986 0.86 FDPS (0.38) FDPS
Water SCHEMBL18549355 0.83 FDPS (0.36) FDPS
SCHEMBL14812442 0.81 DNM1 (0.35) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11612056 0.80 FDPS (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL27421 0.80 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28654242 0.80 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR

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
EP-0452693-A1 Method of preparing 2,2-disubstituted pentane 1,5-diamines BASF Aktiengesellschaft (DE) 1991-10-23 EP claimed