SCHEMBL6942536

SCHEMBL6942536

Cn1cc(CCC=O)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR6 P50406 2/20 0.51
MAOB P27338 1/20 0.47
LTB4R Q15722 4/20 0.47
LTB4R2 Q9NPC1 3/20 0.47
ADRB2 P07550 1/20 0.46
AS3MT Q9HBK9 1/20 0.45
SRD5A2 P31213 1/20 0.45
MCHR1 Q99705 1/20 0.44
ADA P00813 1/20 0.44
PLA2G4A P47712 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 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
SCHEMBL6936459 0.88 HTR6 (0.48) MEN1NPC1RAB9AKMT2AHTR6
SCHEMBL28326780 0.85 KMT2A (0.52) MEN1NPC1RAB9AKMT2AHTR6
SCHEMBL21614278 0.84 CYP4F2 (0.51) MEN1NPC1RAB9AKMT2AHTR6
SCHEMBL4328766 0.81 MEN1 (0.61) MEN1NPC1RAB9AKMT2AHTR6
SCHEMBL6938263 0.79 LTB4R (0.55) MEN1NPC1RAB9AKMT2AHTR6
SCHEMBL6941454 0.79 ADA (0.52) MEN1NPC1RAB9AKMT2AHTR6
SCHEMBL6941459 0.79 ADA (0.52) MEN1NPC1RAB9AKMT2AHTR6
SCHEMBL28995408 0.75 SRD5A2 (0.51) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL32679648 0.75 HTR2A (0.63) MEN1KMT2AHTR6
SCHEMBL6943161 0.75 HTR2A (0.63) MEN1KMT2AHTR6

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-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed