SCHEMBL18953055

SCHEMBL18953055

O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.79
▸ CTSS P25774 3/20 0.79
▸ CTSK P43235 3/20 0.79
▸ CTSB P07858 2/20 0.79
▸ MAPT P10636 7/20 0.67
▸ CA12 O43570 2/20 0.65
▸ CA1 P00915 2/20 0.65
▸ CA2 P00918 2/20 0.65
▸ CA9 Q16790 2/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ LMNA P02545 3/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ MEN1 O00255 7/20 0.65
▸ KMT2A Q03164 7/20 0.65
▸ GAA P10253 1/20 0.65
▸ HTT P42858 5/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL18953047 1.00 CTSL (0.79) CTSLCTSSCTSKCTSBMAPT
SCHEMBL14502988 0.86 MEN1 (0.83) CTSLCTSSCTSKCTSBMAPT
SCHEMBL14503535 0.81 MEN1 (0.74) CTSLCTSSCTSKCTSBMAPT
SCHEMBL13942699 0.81 KMT2A (0.77) CTSLCTSSCTSKCTSBMAPT
SCHEMBL31549907 0.80 KMT2A (0.65) CTSLCTSSCTSKCTSBMAPT
SCHEMBL11810697 0.79 LMNA (1.00) MAPTCA12CA1CA2CA9
SCHEMBL32683 0.77 PIK3CA (0.75) —
SCHEMBL5387635 0.77 MEN1 (0.59) CTSLCTSSCTSKCTSBMAPT
SCHEMBL14503021 0.77 LMNA (0.70) MAPTCA12CA1CA2CA9
SCHEMBL11812589 0.76 LMNA (0.94) MAPTCA12CA1CA2CA9

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
US-20230272077-A1 PD-1 SIGNAL INHIBITOR COMBINATION THERAPY KYOTO UNIVERSITY (JP) 2023-08-31 — — US disclosed
US-20230265193-A1 PD-1 SIGNAL INHIBITOR COMBINATION THERAPY KYOTO UNIVERSITY (JP) 2023-08-24 — — US disclosed
EP-4218819-A2 COMBINATION THERAPY BASED ON PD-1 SIGNAL INHIBITORS Kyoto University (JP) 2023-08-02 — — EP disclosed
US-20180362650-A1 PD-1 SIGNAL INHIBITOR COMBINATION THERAPY KYOTO UNIVERSITY (JP) 2018-12-20 — — US disclosed
EP-3388084-A1 PD-1 SIGNAL INHIBITOR COMBINATION THERAPY Kyoto University (JP) 2018-10-17 — — EP disclosed
WO-2017099034-A1 PD-1 SIGNAL INHIBITOR COMBINATION THERAPY 国立大学法人京都大学 2017-06-15 — — WO disclosed
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