SCHEMBL4330723

SCHEMBL4330723

CC(C)(C)c1ccc(C(=O)Oc2ccc(-c3csc(N=C(N)N)n3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.61
ACR P10323 2/20 0.61
ATP4A P20648 14/20 0.59
ATP4B P51164 14/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
GFER P55789 1/20 0.53
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F2 P00734 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4331865 0.87 ATP4A (0.76) PRSS1ACRATP4AATP4BMAPT
SCHEMBL4329794 0.86 ATP4A (0.66) PRSS1ACRATP4AATP4BMAPT
SCHEMBL4333577 0.84 MAPT (0.53) PRSS1ACRMAPTNPC1RAB9A
SCHEMBL4324204 0.82 ATP4A (0.55) PRSS1ATP4AATP4BMAPTNPC1
SCHEMBL4333457 0.82 ATP4A (0.57) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL4326705 0.82 ATP4A (0.55) PRSS1ACRATP4AATP4BMAPT
SCHEMBL4322678 0.81 ATP4A (0.70) PRSS1ACRATP4AATP4BMAPT
SCHEMBL4334951 0.80 ATP4A (0.58) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL4330728 0.79 ADORA3 (0.48) PRSS1ACRMAPTNPC1RAB9A
SCHEMBL4109611 0.75 ATP4A (1.00) ATP4AATP4BMAPTNPC1RAB9A

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