SCHEMBL30802191

SCHEMBL30802191

CP1(=O)CCC(CNc2c([N+](=O)[O-])cccc2S(N)(=O)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.37
NPY1R P25929 3/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RORC P51449 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4733973 0.85 KMT2A (0.45) NPY5RNPY1RDRD2ADRA2CKMT2A
SCHEMBL25176203 0.85 NPY5R (0.41) NPY5RNPY1RDRD2ADRA2CKMT2A
SCHEMBL30313896 0.85 NPY5R (0.41) NPY5RNPY1RDRD2ADRA2CKMT2A
SCHEMBL29903263 0.83 NSD2 (0.45) NPY5RNPY1RDRD2ADRA2CKMT2A
SCHEMBL29482112 0.82 NPY5R (0.38) NPY5RNPY1RDRD2ADRA2CKMT2A
SCHEMBL25176450 0.80 KMT2A (0.38) NPY5RNPY1RDRD2ADRA2CKMT2A
SCHEMBL25434751 0.77 METAP2 (0.39) NPY5RNPY1RDRD2ADRA2CKMT2A
SCHEMBL21542144 0.77 MAPT (0.55) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL30802159 0.77 MAPT (0.55) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL25170409 0.76 NPY5R (0.37) NPY5RNPY1RDRD2ADRA2CKMT2A

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
EP-3565815-B1 COMPOUNDS AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOCHON PHARMACEUTICALS LTD (CN) 2024-03-13 EP disclosed