SCHEMBL21757530

SCHEMBL21757530

CC(C)(C)OC(=O)N(CC1(C#N)CCOCC1)c1nc(Br)cs1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31

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
SCHEMBL25390121 0.87 GSTO1 (0.32) GSTO1CTSDCTSLCTSBCTSS
SCHEMBL21747573 0.84 GSTO1 (0.31) GSTO1
SCHEMBL21757531 0.78 CDK9 (0.41) CCNT1CDK9
SCHEMBL21757581 0.76 GSTO1 (0.35) GSTO1
SCHEMBL31596356 0.68 PAX8 (0.39) GSTO1
SCHEMBL27760059 0.67 GSTO1 (0.33) GSTO1
SCHEMBL21504866 0.67 RAB9A (0.42) GSTO1
SCHEMBL21747574 0.66 CCNK (0.31) CCNT1CDK9
SCHEMBL30361329 0.65 USP30 (0.46) GSTO1
SCHEMBL1191918 0.65 OPRM1 (0.38) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613737-B1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2021-12-29 — — EP disclosed
EP-3613737-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Genfleet Therapeutics (Shanghai) Inc. (CN) 2020-02-26 — — EP disclosed
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