SCHEMBL28869485

SCHEMBL28869485

CSc1ccccc1-c1cccc(C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.51
BAZ2A Q9UIF9 1/20 0.51
AR P10275 14/20 0.50
BRD4 O60885 1/20 0.46
PARP1 P09874 1/20 0.46
PDK2 Q15119 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PRKCI P41743 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
SCHEMBL7830642 0.86 KMO (0.56) AR
SCHEMBL28869486 0.82 MKNK1 (0.51) ARPARP1
SCHEMBL7815823 0.82 RAB9A (0.49) PDK2NPC1RAB9A
SCHEMBL5307077 0.80 PARP1 (0.56) BAZ2BBAZ2APARP1PDK2NPC1
SCHEMBL27921662 0.79 AR (0.51) AR
SCHEMBL18076320 0.79 KDM4E (0.50) NPC1RAB9A
SCHEMBL3636122 0.79 NR1H4 (0.56) BAZ2BBAZ2ABRD4PARP1PDK2
SCHEMBL3785593 0.77 BAZ2B (0.52) BAZ2BBAZ2APARP1PDK2NPC1
SCHEMBL28096188 0.77 BCAT2 (0.67) BAZ2BBAZ2APARP1PDK2NPC1
SCHEMBL3164816 0.76 BAZ2B (0.52) BAZ2BBAZ2ABRD4PARP1PDK2

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
CN-109369504-A The preparation method of sulfur-bearing 3- methylene 1-isoindolinone derivative 温州大学 2019-02-22 CN disclosed