SCHEMBL23720472

SCHEMBL23720472

CC(C)(C)OC(=O)NCCCOc1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
CPB2 Q96IY4 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
FPR3 P25089 3/20 0.43
FPR2 P25090 3/20 0.43
DGAT1 O75907 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SCN9A Q15858 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL30564446 0.96 CA12 (0.49) CA12CA1CA2CA9STK17B
SCHEMBL18530389 0.96 CA12 (0.49) CA12CA1CA2CA9STK17B
SCHEMBL23720473 0.94 CA12 (0.46) CA12CA1CA2CA9STK17B
SCHEMBL23720481 0.94 CA12 (0.46) CA12CA1CA2CA9STK17B
SCHEMBL23720492 0.91 CA12 (0.47) CA12CA1CA2CA9STK17B
SCHEMBL23720486 0.89 BCHE (0.43) CA12CA1CA2CA9CPB2
SCHEMBL20204057 0.86 CA12 (0.51) CA12CA1CA2CA9STK17B
SCHEMBL16980667 0.85 CA1 (0.53) CA12CA1CA2CA9STK17B
SCHEMBL20173482 0.85 CA12 (0.50) CA12CA1CA2CA9STK17B
SCHEMBL30131245 0.82 CA12 (0.50) CA12CA1CA2CA9STK17B

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-4722206-A1 BENZO(HETERO)CYCLOALKYL COMPOUNDS FOR ANDROGEN RECEPTOR-DEPENDENT DISEASES Haihe Biopharma Co., Ltd. (CN) 2026-04-08 EP disclosed
WO-2021155006-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES AND USES THEREOF LES LABORATOIRES SERVIER SAS (FR) 2021-08-05 WO disclosed