SCHEMBL25823927

SCHEMBL25823927

O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.46
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
SLC6A4 P31645 1/20 0.43
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
F8 P00451 1/20 0.40
F5 P12259 1/20 0.40
CYP19A1 P11511 7/20 0.40
S1PR4 O95977 1/20 0.39
ERN1 O75460 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL31215857 1.00 CCR5 (0.46) CCR5USP28USP25SLC6A4MAPT
SCHEMBL29227166 0.84 CCR5 (0.49) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18002339 0.83 MRGPRX4 (0.49) CCR5USP28USP25SLC6A4KMT2A
SCHEMBL25810385 0.82 USP28 (0.50) CCR5USP28USP25SLC6A4MAPT
SCHEMBL29227165 0.82 CYP19A1 (0.56) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7819820 0.82 MAPT (0.56) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23673334 0.81 USP28 (0.60) CCR5USP28USP25SLC6A4MAPT
SCHEMBL30038784 0.81 USP28 (0.60) CCR5USP28USP25SLC6A4MAPT
SCHEMBL23673335 0.80 KMT2A (0.54) USP28USP25SLC6A4MAPTNPC1
SCHEMBL4342277 0.79 MAOA (0.48) CCR5MAPTNPC1RAB9ASMN1; SMN2

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed