SCHEMBL8649409

SCHEMBL8649409

CCN(CC)CCC(c1ccccc1)N1C(=O)c2ccccc2CS1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAOB P27338 4/20 0.39
SIGMAR1 Q99720 1/20 0.38
ACHE P22303 4/20 0.38
BCHE P06276 2/20 0.38
MAPT P10636 2/20 0.36
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
NSD2 O96028 1/20 0.33

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
Fumaric Acid SCHEMBL8644566 0.93 MEN1 (0.38) MC4RMEN1KMT2AMAOBACHE
Fumaric Acid SCHEMBL8644575 0.93 MEN1 (0.38) MC4RMEN1KMT2AMAOBACHE
SCHEMBL8643747 0.77 MTR (0.44) MEN1KMT2A
SCHEMBL8649403 0.76 MTR (0.43) MEN1KMT2ABCHEHTR1ANPC1
SCHEMBL8644064 0.72 MTR (0.38) MEN1KMT2ABCHENPC1RAB9A
SCHEMBL8646569 0.70 TDP1 (0.43) MC4RKMT2AMAOBSIGMAR1ACHE
Fumaric Acid SCHEMBL8643277 0.70 ALDH1A1 (0.39) MEN1KMT2AACHEMAPT
SCHEMBL8644571 0.70 LMNA (0.35) MAOBACHEBCHEMAPTHTR1A
Hydrochloric Acid SCHEMBL8647131 0.70 TDP1 (0.43) MC4RKMT2AMAOBSIGMAR1ACHE
SCHEMBL8787526 0.68 ALDH1A1 (0.42) MC4RMEN1KMT2AACHEMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
EP-0753514-A1 ALKYLENEDIAMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-01-15 EP disclosed