SCHEMBL28840975

SCHEMBL28840975

CCCC=C1CCNC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.35
TRPA1 O75762 2/20 0.32
CCR6 P51684 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP10 Q53GL7 4/20 0.31
PARP11 Q9NR21 3/20 0.31
PARP1 P09874 3/20 0.31
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31
PDPK1 O15530 1/20 0.31
LRRK2 Q5S007 1/20 0.30
PPARG P37231 2/20 0.30

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
SCHEMBL5754447 0.88 OR51E2 (0.37) CRBNTRPA1CCR6KDM4ERAB9A
SCHEMBL5754450 0.88 OR51E2 (0.37) CRBNTRPA1CCR6KDM4ERAB9A
SCHEMBL28239984 0.88 CCR6 (0.43) CRBNCCR6KDM4ERAB9AL3MBTL1
SCHEMBL685633 0.83
SCHEMBL240349 0.83
SCHEMBL24569437 0.79 CRBN (0.35) CRBNPARP10PARP11PARP1PKN1
SCHEMBL24569857 0.79 LMNA (0.37) CRBNRAB9A
SCHEMBL24569436 0.79 SLC6A2 (0.37) CRBNCCR6KDM4EPARP1
SCHEMBL6325227 0.75 KDM4E (0.41) TRPA1CCR6KDM4ERAB9AL3MBTL1
SCHEMBL6325231 0.75 KDM4E (0.41) TRPA1CCR6KDM4ERAB9AL3MBTL1

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-106458891-A Carbazole-containing amides, carbamates, and ureas as cryptochrome modulators 复位治疗公司 2017-02-22 CN disclosed