SCHEMBL7247384

SCHEMBL7247384

NC(CCCNCc1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
CHRM2 P08172 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
EPHX1 P07099 1/20 0.53
SIGMAR1 Q99720 3/20 0.53
ANPEP P15144 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
MPO P05164 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
SCN8A Q9UQD0 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
SCHEMBL17424040 0.93 MAOA (0.65) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL3647660 0.92 CHRM2 (0.66) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL9182514 0.85 MAOA (0.56) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL17560742 0.83 CHRM2 (0.59) CHRM2TDP1SIGMAR1DPP7
Hydrochloric Acid SCHEMBL9195735 0.83 MAOA (0.55) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL8625123 0.82 MAOA (0.58) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL8624899 0.82 MAOA (0.58) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL4303544 0.81 EPHX1 (0.73) MAOAEPHX1SIGMAR1ANPEP
SCHEMBL20466361 0.81 EPHX1 (0.73) MAOAEPHX1SIGMAR1ANPEP
SCHEMBL4302698 0.81 EPHX1 (0.73) MAOAEPHX1SIGMAR1ANPEP

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-20030045755-A1 Polyamine analogues as cytotoxic agents MEDIQUEST THERAPEUTICS, INC. 2003-03-06 US disclosed