SCHEMBL7984904

SCHEMBL7984904

Cc1nc2c(OCc3ccccc3)nccn2c1[AsH2]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.73
ATP4B P51164 5/20 0.73
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DAPK1 P53355 2/20 0.40
IGF1R P08069 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL10918911 0.86 ATP4A (0.76) ATP4AATP4BL3MBTL1CYP1A2MEN1
SCHEMBL2192969 0.84 ATP4A (1.00) ATP4AATP4BL3MBTL1CYP1A2MEN1
Hydrochloric Acid SCHEMBL2192249 0.83 ATP4A (0.97) ATP4AATP4BL3MBTL1CYP1A2MEN1
SCHEMBL10918297 0.81 ATP4A (0.68) ATP4AATP4BL3MBTL1CYP1A2MEN1
SCHEMBL10919559 0.80 ATP4A (0.67) ATP4AATP4BL3MBTL1CYP1A2MEN1
SCHEMBL10531597 0.80 ATP4A (0.69) ATP4AATP4BL3MBTL1CYP1A2MEN1
SCHEMBL11001197 0.79 ATP4A (0.73) ATP4AATP4BL3MBTL1CYP1A2MEN1
SCHEMBL11005085 0.77 ATP4A (0.78) ATP4AATP4BL3MBTL1CYP1A2CYP3A4
SCHEMBL10916933 0.73 ATP4A (0.57) ATP4AATP4BL3MBTL1DAPK1CNR1
SCHEMBL8162089 0.70 L3MBTL1 (0.59) ATP4AATP4BL3MBTL1CYP1A2MAPK1

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
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed