SCHEMBL5777403

SCHEMBL5777403

CC(C)c1csc(C=Cc2ccnc(NC(=O)Cc3ccccc3C(=O)O)c2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.75
RIOK2 Q9BVS4 7/20 0.37
GSK3A P49840 3/20 0.37
MAPK10 P53779 3/20 0.37
MAPK8 P45983 1/20 0.37
HIPK1 Q86Z02 1/20 0.37
SNRK Q9NRH2 1/20 0.37
WNT3A P56704 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL9262876 0.86 ALB (1.00) ALBHDAC1HDAC6MEN1KMT2A
SCHEMBL9262889 0.86 ALB (1.00) ALBHDAC1HDAC6MEN1KMT2A
SCHEMBL5775741 0.83 ALB (0.70) ALBMAPK10MAPK8HDAC1HDAC6
SCHEMBL5780463 0.82 ALB (0.81) ALBGSK3AHDAC1HDAC6MEN1
SCHEMBL5908387 0.82 ALB (0.50) ALBRIOK2GSK3AMAPK10HDAC1
SCHEMBL9261371 0.79 ALB (0.75) ALBMEN1RAB9AKMT2A
SCHEMBL9261385 0.79 ALB (0.75) ALBMEN1RAB9AKMT2A
SCHEMBL9265401 0.78 ALB (0.74) ALBMEN1RAB9AKMT2A
SCHEMBL9265413 0.78 ALB (0.74) ALBMEN1RAB9AKMT2A
SCHEMBL9266539 0.76 ALB (0.83) ALBHDAC1HDAC6MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed