SCHEMBL21470682

SCHEMBL21470682

CC1Cc2ccc(Oc3ccnc4c3ccn4S(C(C)C)(C(C)C)C(C)C)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 16/20 0.37
▸ PTPN1 P18031 4/20 0.36

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
SCHEMBL23327015 0.86 HDAC8 (0.38) HDAC8PTPN1
SCHEMBL21470447 0.81 ACACB (0.34) —
SCHEMBL23326809 0.76 MET (0.33) —
SCHEMBL21470423 0.74 ESR2 (0.41) —
SCHEMBL21593114 0.73 NR1H2 (0.44) HDAC8
SCHEMBL21470766 0.73 HTR6 (0.39) HDAC8
SCHEMBL23326766 0.72 NR1H2 (0.47) —
SCHEMBL18435172 0.69 PTPN1 (0.47) HDAC8PTPN1
SCHEMBL23762243 0.68 NR1H2 (0.42) —
SCHEMBL23353521 0.68 MET (0.32) —

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-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 — — WO disclosed
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