SCHEMBL23859922

SCHEMBL23859922

NCCNCc1ccccc1.[CH2]c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAOA P21397 1/20 0.59
CHRM2 P08172 1/20 0.57
SIGMAR1 Q99720 3/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
MC4R P32245 2/20 0.51
MC5R P33032 2/20 0.51
DRD4 P21917 1/20 0.46
MPO P05164 2/20 0.45
MC3R P41968 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
IDO1 P14902 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL167415 0.90 MEN1 (0.73) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL9631654 0.88 MEN1 (0.70) MEN1KMT2ATDP1MAOACHRM2
Ammonia Solution, Strong SCHEMBL20357468 0.88 MEN1 (0.70) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL23859923 0.88 MEN1 (0.77) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL10382368 0.88 MEN1 (0.70) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4916283 0.86 TDP1 (0.74) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4909407 0.86 TDP1 (0.74) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL2346060 0.86 TDP1 (0.74) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL1459195 0.82 MAOA (0.72) MEN1KMT2ATDP1MAOACHRM2
Ethylenediamine SCHEMBL8711121 0.81 MEN1 (0.81) MEN1KMT2ATDP1MAOACHRM2

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
WO-2021195671-A1 PROCESS FOR PREPARING TRIENTINE DIHYDROCHLORIDE JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2021-09-30 WO claimed