SCHEMBL4326705

SCHEMBL4326705

CCCCc1ccc(C(=O)Oc2ccc(-c3csc(N=C(N)N)n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 12/20 0.55
ATP4B P51164 12/20 0.55
MAPT P10636 5/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
PRSS1 P07477 2/20 0.49
ACR P10323 1/20 0.49
GFER P55789 1/20 0.49
SREBF2 Q12772 1/20 0.46
THRB P10828 2/20 0.45
F2 P00734 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL4330172 0.86 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2SREBF2
SCHEMBL4331865 0.83 ATP4A (0.76) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL4329794 0.82 ATP4A (0.66) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL4330723 0.82 PRSS1 (0.61) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL4322564 0.82 ATP4A (0.54) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL4326708 0.81 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2SREBF2
SCHEMBL4324204 0.79 ATP4A (0.55) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL11547222 0.77 RARB (0.64) MAPTNPC1SMN1; SMN2PRSS1ACR
SCHEMBL11553184 0.77 RARB (0.64) MAPTNPC1SMN1; SMN2PRSS1ACR
Bromide SCHEMBL826037 0.76 NPC1 (0.69) 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