SCHEMBL9837023

SCHEMBL9837023

Nc1ccc(C2=NCCO2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
TDP1 Q9NUW8 4/20 0.58
POLB P06746 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.44
GALR3 O60755 1/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
PGR P06401 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 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
SCHEMBL6351039 0.83 MAPT (0.59) MAPTTDP1POLBMEN1KMT2A
SCHEMBL9863084 0.83 MAPK1 (0.45) MAPTPOLBALDH1A1ALOX15TSHR
SCHEMBL9835773 0.83 MAPT (0.46) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL2335563 0.81 MAPT (0.40) MAPTTDP1POLBMEN1KMT2A
SCHEMBL2335559 0.81 MAPT (0.40) MAPTTDP1POLBMEN1KMT2A
SCHEMBL5611161 0.79 NOTUM (0.44) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL2335555 0.77 GAA (0.51) MAPTPOLBALDH1A1LMNAHTT
SCHEMBL9003739 0.77 SMN1; SMN2 (0.54) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL737722 0.76 MAPT (1.00) MAPTTDP1POLBMEN1KMT2A
SCHEMBL29409289 0.76 MAPT (1.00) MAPTTDP1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261478-B1 4,5-DIHYDRO-OXAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1991-04-24 EP disclosed
EP-0261478-A1 4,5-Dihydro-oxazole derivatives, process for their preparation and their use Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1988-03-30 EP disclosed