SCHEMBL6994625

SCHEMBL6994625

COc1ccccc1CNC(=O)Oc1nc2ccncc2s1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAOB P27338 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 4/20 0.44
CSNK1D P48730 3/20 0.42
CYP2D6 P10635 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6991980 0.89 TAS1R3 (0.44) POLBMAOBMEN1KMT2AROCK2
SCHEMBL7000901 0.83 MAOB (0.72) POLBMAOBMEN1KMT2AROCK2
SCHEMBL6995500 0.73 ALDH1A1 (0.50) POLBMAOBMEN1KMT2AROCK2
SCHEMBL5095592 0.73 MEN1 (0.78) POLBMEN1KMT2AROCK2ALDH1A1
SCHEMBL8140705 0.72 MAOB (0.49) POLBMAOBMEN1KMT2AALDH1A1
SCHEMBL6999604 0.72 MAOB (0.57) POLBMAOBMEN1KMT2AALDH1A1
SCHEMBL6638447 0.72 MEN1 (0.52) POLBMAOBMEN1KMT2AROCK2
SCHEMBL6996652 0.72 ROCK2 (0.42) KMT2AROCK2ROCK1ALDH1A1
SCHEMBL6990480 0.72 ROCK2 (0.42) KMT2AROCK2ROCK1ALDH1A1
SCHEMBL13434069 0.71 HPGD (0.69) POLBMEN1KMT2AALDH1A1HPGD

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