SCHEMBL9810683

SCHEMBL9810683

O=[N+]([O-])c1cn(CO)cn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
HIF1A Q16665 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL27972765 0.85 L3MBTL1 (0.51) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL14696607 0.84 L3MBTL1 (0.53) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL174157 0.81 ALDH1A1 (0.51) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL27343291 0.81 L3MBTL1 (0.50) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL16896797 0.81 L3MBTL1 (0.54) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL2760499 0.80 TAAR1 (0.61) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL19698979 0.79 L3MBTL1 (0.59) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL20487676 0.78 L3MBTL1 (0.48) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL2160945 0.78 L3MBTL1 (0.48) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL31303986 0.78 L3MBTL1 (0.48) L3MBTL1TAAR1ALDH1A1PKMHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216386-B1 PROCESS FOR THE PREPARATION OF HYDROXYMETHYLIMIDAZOLES BASF Aktiengesellschaft (DE) 1991-06-05 EP disclosed
US-4698434-A Preparation of hydroxymethylimidazoles BASF AKTIENGESELLSCHAFT (DE) 1987-10-06 US disclosed
EP-0216386-A2 Process for the preparation of hydroxymethylimidazoles BASF Aktiengesellschaft (DE) 1987-04-01 EP disclosed