SCHEMBL9505940

SCHEMBL9505940

NC(=O)Nc1nc(O)cc(O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.40
CYP1A2 P05177 2/20 0.40
APP P05067 3/20 0.37
ACHE P22303 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 2/20 0.33
NT5E P21589 1/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.32

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
SCHEMBL28923953 0.86 MAPT (0.47) CYP1A2KMT2AMEN1KDM4ENPC1
SCHEMBL515345 0.80 CYP1A2 (0.42) PEPDCYP1A2APPACHEKMT2A
SCHEMBL9505994 0.77 CYP1A2 (0.57) CYP1A2KMT2AMEN1KDM4ENPC1
SCHEMBL9503805 0.77
SCHEMBL14691443 0.77 KDM4E (0.42) PEPDCYP1A2APPACHEKMT2A
SCHEMBL10616487 0.76 MAPT (0.58) CYP1A2KMT2AMEN1KDM4ENPC1
SCHEMBL3025720 0.71 CYP1A2 (0.38) PEPDCYP1A2APPACHEKMT2A
SCHEMBL11592921 0.71 CYP1A2 (0.38) PEPDCYP1A2APPACHEKMT2A
SCHEMBL3470061 0.71 CYP1A2 (0.42) PEPDCYP1A2APPACHEKMT2A
SCHEMBL2775380 0.71 CYP1A2 (0.70) CYP1A2KMT2AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
US-4942225-A Preparation of diazo and azo compounds using azidoformamidium salts BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP disclosed
EP-0093306-B1 METHODS FOR THE PREPARATION OF AZO COMPOUNDS, AND AZO COMPOUNDS BAYER AG (DE) 1986-09-24 EP disclosed
US-4421601-A LACQUERS, INKS, PAINTS, TEXTILES, PAPER BAYER AKTIENGESELLSCHAFT (DE) 1983-12-20 US disclosed
EP-0093306-A1 Methods for the preparation of azo compounds, and azo compounds BAYER AG (DE) 1983-11-09 EP disclosed
US-4014863-A LACQUERS, PRINTING INKS, PAINTS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed