SCHEMBL29019239

SCHEMBL29019239

CN1CCC(N(C(=O)OC(C)(C)C)c2nc(C(=O)O)c(Br)s2)CC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
OPRM1 P35372 1/20 0.30
CACNA2D1 P54289 1/20 0.30
USP30 Q70CQ3 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CCR5 P51681 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
SCHEMBL30186673 0.87 ALDH1A1 (0.34) MEN1KMT2AOPRM1CACNA2D1
SCHEMBL29019238 0.83 BTK (0.30)
SCHEMBL24676475 0.75 RAB9A (0.34)
SCHEMBL30186687 0.74 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL24676460 0.73 RAB9A (0.31)
SCHEMBL12716016 0.67 GPR119 (0.44) MEN1KMT2A
SCHEMBL22832375 0.66 PPARA (0.44) KMT2A
SCHEMBL21626611 0.66 GPR119 (0.40)
SCHEMBL8912028 0.66 HSD11B1 (0.50) KMT2AUSP30CHRM4CHRM5CHRM1
SCHEMBL13326570 0.65 USP30 (0.42) MEN1KMT2AUSP30

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-116096725-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2023-05-09 CN disclosed