SCHEMBL9780825

SCHEMBL9780825

Cc1ncc(C(O)C[N+](=O)[O-])[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 2/20 0.35
ATM Q13315 1/20 0.35
FDPS P14324 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CHRM1 P11229 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL15797407 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMAPK1ATM
SCHEMBL30783176 0.69 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMAPK1ATM
SCHEMBL21748753 0.69 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMAPK1ATM
SCHEMBL10589032 0.66 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMAPK1ATM
SCHEMBL10587006 0.66 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL25556169 0.66 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMAPK1ATM
SCHEMBL20257974 0.65 HRH1 (0.41) FDPSHRH1HRH4BAZ2BTSHR
SCHEMBL31639294 0.65 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMAPK1ATM
SCHEMBL531072 0.65 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTMAPK1ATM
SCHEMBL6977981 0.64 ALDH1A1 (0.41) ALDH1A1KDM4EMAPT

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
US-5070079-A NERVOUS SYSTEM LESIONS CRC-COMPAGNIA DI RICERCA CHIMICA S.P.A. (IT) 1991-12-03 US disclosed
EP-0120328-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING THE CYTIDINE MONOPHOSPHATE OF 5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-D-GALACTONONULOSAMINIC ACID C.R.C. Compagnia di Ricerca Chimica S.p.A. (IT) 1988-10-19 EP disclosed
EP-0263533-A2 A method for preparing the cytidine monophosphate of 5-acetamido-3,5-dideoxy-D-glycero-D-galactononulosaminic acid C.R.C. Compagnia di Ricerca Chimica S.p.A. (IT) 1988-04-13 EP disclosed
US-4704361-A TRANSFERASE AND STABILIZERS COMPAGNIA DI RICERCA CHIMICA S.P.A. (IT) 1987-11-03 US disclosed
EP-0120328-A2 Pharmaceutical compositions containing the cytidine monophosphate of 5-acetamido-3,5-dideoxy-D-glycero-D-galactononulosaminic acid C.R.C. Compagnia di Ricerca Chimica S.p.A. (IT) 1984-10-03 EP disclosed