SCHEMBL6990673

SCHEMBL6990673

N=C(N)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ IRAK4 Q9NWZ3 7/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ RIPK1 Q13546 5/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ PLAT P00750 1/20 0.46
▸ PRSS1 P07477 1/20 0.46

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
SCHEMBL29500516 0.83 LMNA (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL18537879 0.83 LMNA (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31154057 0.81 MEN1 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19329732 0.80 IRAK4 (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19329541 0.79 RIPK1 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5743889 0.79 SMN1; SMN2 (0.74) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL25956596 0.78 IRAK4 (0.83) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17488032 0.77 RAB9A (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4578043 0.77 IRAK4 (0.49) MEN1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL27631617 0.77 IRAK4 (0.54) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150203812-A1 Inhibitors of Voltage Gated Ion Channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-07-23 — — US disclosed
EP-0920314-B1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-08-27 — — EP disclosed
EP-0920314-A4 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2001-08-16 — — EP disclosed
US-5981551-A GRANULOCYTE COLONY-STIMULATING FACTOR MIMETICS; TREATMENT OF NEUTROPENIA SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 — — US disclosed
EP-0920314-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1999-06-09 — — EP disclosed
WO-1997044033-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-27 — — WO disclosed
US-5384385-A Adhesives BAYER AKTIENGESELLSCHAFT (DE) 1995-01-24 — — US disclosed
EP-0543250-A1 Reactive masses of two-component polyurethanes BAYER AG (DE) 1993-05-26 — — EP disclosed
US-3935314-A Anti-hypertensive compositions of benzimidazole derivatives BEECHAM GROUP LIMITED (EN) 1976-01-27 — — US disclosed
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