SCHEMBL30716896

SCHEMBL30716896

COc1ccc(CO[Si](C)(C)C(C)(C)C)nc1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
ELANE P08246 1/20 0.31
PDE4B Q07343 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
TOP2A P11388 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
SCHEMBL24667803 1.00 DRD2 (0.32) DRD2ELANEPDE4BHDAC1HDAC6
SCHEMBL14402984 0.83 TOP2A (0.33) DRD2TOP2A
SCHEMBL4984988 0.81 DRD2 (0.34) DRD2TOP2A
SCHEMBL17781426 0.78 USP8 (0.38)
SCHEMBL4981079 0.78 DRD2 (0.33) DRD2PDE4BTOP2A
SCHEMBL4979480 0.76 BACE1 (0.31)
SCHEMBL14188879 0.76 BACE1 (0.31)
SCHEMBL31254281 0.74 RXRA (0.32)
SCHEMBL24667801 0.73 ALDH1A1 (0.42) PDE4B
SCHEMBL24667804 0.73 CCR1 (0.42) PDE4B

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-117412960-A Isoindolinone compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2024-01-16 CN disclosed