SCHEMBL9024919

SCHEMBL9024919

O=C1CCC([N+](=O)[O-])C(c2ccccc2Cl)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
RAB9A P51151 1/20 0.71
ATM Q13315 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 2/20 0.54
TP53 P04637 2/20 0.36
MDM2 Q00987 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL5748309 0.83 RAB9A (0.71) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL5748307 0.83 RAB9A (0.71) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL5748304 0.83 RAB9A (0.71) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL8901705 0.80 RAB9A (0.67) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL7898749 0.80 SMN1; SMN2 (0.74) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL7898746 0.80 SMN1; SMN2 (0.74) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL6098746 0.80 SMN1; SMN2 (0.74) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL6099592 0.77 ALDH1A1 (0.74) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL6099600 0.77 ALDH1A1 (0.74) GAARAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL6099597 0.77 ALDH1A1 (0.74) GAARAB9AATMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600952-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME (GB) 1996-04-17 EP disclosed
US-5459270-A Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders MERCK SHARP & DOHME LIMITED (GB) 1995-10-17 US disclosed
EP-0600952-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. MERCK SHARP & DOHME (GB) 1994-06-15 EP disclosed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO disclosed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 EP disclosed