SCHEMBL30867014

SCHEMBL30867014

Cc1cc(F)cc(F)c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.43
HDAC4 P56524 1/20 0.34
ACHE P22303 3/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TUBB1 Q9H4B7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
ERN1 O75460 1/20 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
SCHEMBL8446400 1.00 RAPGEF4 (0.43) RAPGEF4HDAC4ACHEPTGS1PTGS2
SCHEMBL12446940 0.84 RAPGEF4 (0.42) RAPGEF4ACHEPTGS1PTGS2HDAC1
SCHEMBL67360 0.84 RAPGEF4 (0.42) RAPGEF4HDAC4ACHEPTGS1PTGS2
SCHEMBL97078 0.77 RAPGEF4 (0.43) RAPGEF4ACHEPTGS1PTGS2CES2
SCHEMBL1056730 0.77 RAPGEF4 (0.43) RAPGEF4ACHEHDAC1HDAC6ALDH1A1
SCHEMBL31633777 0.77 RAPGEF4 (0.43) RAPGEF4ACHEHDAC1HDAC6ALDH1A1
Boric Acid SCHEMBL17967033 0.74 HDAC1 (0.41) RAPGEF4HDAC4PTGS1PTGS2HDAC1
SCHEMBL8847064 0.73 ACHE (0.35) RAPGEF4ACHEHDAC1HDAC6TUBB1
SCHEMBL24699771 0.72 TTR (0.32) ACHEHDAC1HDAC6
SCHEMBL12121733 0.72 RAPGEF4 (0.35) RAPGEF4HDAC4HDAC1HDAC6CES2

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-117964544-A Synthetic method of isoindoline derivatives 上海吉奉生物科技有限公司 2024-05-03 CN disclosed