SCHEMBL4324082

SCHEMBL4324082

NC(N)=Nc1nc(-c2ccc(OS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 19/20 0.64
ATP4B P51164 19/20 0.64
NPC1 O15118 2/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.58
GFER P55789 1/20 0.52

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
SCHEMBL4330186 0.89 MAPT (0.69) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL4334951 0.86 ATP4A (0.58) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL4322753 0.86 ATP4A (0.55) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL4322564 0.83 ATP4A (0.54) ATP4AATP4BNPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL827560 0.82 ATP4A (0.91) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL823907 0.80 ATP4A (1.00) ATP4AATP4BNPC1MAPTRAB9A
Bromide SCHEMBL825847 0.79 ATP4A (0.97) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL4329794 0.79 ATP4A (0.66) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL4338179 0.79 ATP4A (0.61) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL4324085 0.78 PHGDH (0.50) NPC1MAPTRAB9A

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
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO claimed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed