SCHEMBL6991980

SCHEMBL6991980

CC(C)Oc1ccccc1CNC(=O)Oc1nc2ccncc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
POLB P06746 2/20 0.41
MAOB P27338 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
NAMPT P43490 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL6994625 0.89 POLB (0.53) POLBMAOBMEN1KMT2AALDH1A1
SCHEMBL6999604 0.84 MAOB (0.57) TAS1R3TAS1R1POLBMAOBCACNA1G
SCHEMBL6996652 0.74 ROCK2 (0.42) NAMPTRAB9AKMT2AALDH1A1ROCK2
SCHEMBL6990480 0.74 ROCK2 (0.42) NAMPTRAB9AKMT2AALDH1A1ROCK2
SCHEMBL7000901 0.72 MAOB (0.72) POLBMAOBNAMPTMEN1KMT2A
SCHEMBL6642670 0.72 TAS1R3 (0.45) TAS1R3TAS1R1POLBNAMPTMEN1
SCHEMBL26049725 0.72 LTA4H (0.43) ROCK2ROCK1
SCHEMBL7020699 0.69 TAS1R3 (0.52) TAS1R3TAS1R1POLBCACNA1GCACNA1H
SCHEMBL947356 0.68 TAS1R3 (0.56) TAS1R3TAS1R1POLBCACNA1GCACNA1H
SCHEMBL7015349 0.66 MEN1 (0.55) TAS1R3TAS1R1POLBCACNA1GCACNA1H

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-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed