SCHEMBL25794230

SCHEMBL25794230

NCCNc1nc(SCCOCCN)nc2c1nnn2Cc1ccc(N)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL25794228 0.89 USP28 (0.58) USP28SMN1; SMN2TSHRTAAR1ALDH1A1
SCHEMBL25794225 0.84 USP28 (0.78) USP28SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL25794231 0.81 USP28 (0.65) USP28ALDH1A1MEN1KMT2A
SCHEMBL25795470 0.77 USP28 (0.75) USP28SMN1; SMN2TSHRTAAR1ALDH1A1
SCHEMBL25794261 0.73 KDM1A (0.57) USP28SMN1; SMN2TSHRTAAR1ALDH1A1
SCHEMBL25794224 0.72 USP28 (1.00) USP28ALDH1A1LMNAMEN1KMT2A
SCHEMBL25795472 0.71 USP28 (0.83) USP28MEN1KMT2AKDM1A
SCHEMBL25827780 0.70 USP28 (0.85) USP28MEN1KMT2AKDM1A
SCHEMBL25794181 0.70 USP28 (0.84) USP28MEN1KMT2AKDM1A
SCHEMBL25795471 0.69 USP28 (0.84) USP28MEN1KMT2AKDM1A

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
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