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Sugi Predict / Compounds / SCHEMBL21707904

SCHEMBL21707904

SCHEMBL21707904

CC(C)(C)c1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(Br)c1NC(=O)c1cccc(N(CC2CC2)C(=O)c2ccccc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ ACKR3 P25106 1/20 0.30
▸ P2RX7 Q99572 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
SCHEMBL21693652 0.94 HDAC8 (0.36) HDAC8GPBAR1HSD11B1HDAC1HDAC6
SCHEMBL21707903 0.93 HDAC8 (0.39) HDAC8GPBAR1HSD11B1HDAC1HDAC6
SCHEMBL21707901 0.91 HDAC8 (0.39) HDAC8GPBAR1HSD11B1HDAC1HDAC6
SCHEMBL28362281 0.91 SLC6A2 (0.36) HDAC8GPBAR1HSD11B1HDAC1HDAC6
SCHEMBL21693739 0.90 RXFP1 (0.36) HDAC8HSD11B1HDAC1HDAC6SLC6A2
SCHEMBL21707905 0.90 HDAC8 (0.38) HDAC8GPBAR1HSD11B1HDAC1HDAC6
SCHEMBL21705019 0.88 HDAC8 (0.36) HDAC8GPBAR1HSD11B1HDAC1HDAC6
SCHEMBL21707891 0.88 HDAC8 (0.36) HDAC8GPBAR1HSD11B1HDAC1HDAC6
SCHEMBL30979910 0.88 HDAC8 (0.36) HDAC8GPBAR1HSD11B1HDAC1HDAC6
SCHEMBL21701270 0.88 HDAC8 (0.38) HDAC8GPBAR1HSD11B1HDAC1HDAC6

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
WO-2020030095-A1 PHARMACEUTICAL COMPOSITION CONTAINING META-DIAMIDE COMPOUND AND USE THEREOF 上海泰禾国际贸易有限公司 2020-02-13 — — WO disclosed