SCHEMBL29443239

SCHEMBL29443239

O=[N+]([O-])c1ccc(N2CC[C@@H](N=C=S)C2)c2nonc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
USP2 O75604 3/20 0.57
POLB P06746 3/20 0.57
TNNI3 P19429 1/20 0.57
TNNT2 P45379 1/20 0.57
TNNC1 P63316 1/20 0.57
MAPT P10636 2/20 0.52
S100A4 P26447 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
GSTP1 P09211 4/20 0.39
GSTM2 P28161 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CTSB P07858 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
SCHEMBL29443226 1.00 MEN1 (0.57) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL9231295 1.00 MEN1 (0.57) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL29155892 0.79 MEN1 (0.64) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3037436 0.79 MEN1 (0.64) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3034016 0.79 MEN1 (0.64) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL9225938 0.76 CNR2 (0.38) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL29443209 0.76 CNR2 (0.39) MEN1KMT2AUSP2POLBMAPT
SCHEMBL29443211 0.76 CNR2 (0.39) MEN1KMT2AUSP2POLBMAPT
SCHEMBL3500025 0.74 MEN1 (0.97) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL12849482 0.74 MEN1 (0.64) MEN1KMT2AUSP2POLBTNNI3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4443155-B1 ENCAPSULATED PRE-ANALYTIC WORKFLOWS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS WATERS TECHNOLOGIES CORP (US) 2026-05-13 EP disclosed
US-12487210-B2 Encapsulated pre-analytic workflows for flow-through devices, liquid chromatography and mass spectrometric analysis WATERS TECHNOLOGIES CORPORATION (US) 2025-12-02 US disclosed
EP-4443155-A2 ENCAPSULATED PRE-ANALYTIC WORKFLOWS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS Waters Technologies Corporation (US) 2024-10-09 EP disclosed
EP-3491374-B1 ENCAPSULATED PRE-ANALYTIC WORKFLOW REAGENTS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS WATERS TECHNOLOGIES CORP (US) 2024-10-09 EP disclosed
US-20220252553-A1 ENCAPSULATED PRE-ANALYTIC WORKFLOWS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS WATERS TECHNOLIGIES CORPORATION (US) 2022-08-11 US disclosed
US-11280766-B2 Encapsulated pre-analytic workflows for flow-through devices, liquid chromatography and mass spectrometric analysis WATERS TECHNOLOGIES CORPORATION (US) 2022-03-22 US disclosed