SCHEMBL9835773

SCHEMBL9835773

O=[N+]([O-])c1cc(C2=NCCO2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DHFR P00374 1/20 0.44
DAPK3 O43293 1/20 0.43
VCAM1 P19320 5/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL9837023 0.83 MAPT (0.58) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL9863084 0.83 MAPK1 (0.45) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL6351039 0.83 MAPT (0.59) MAPTMEN1ALDH1A1KMT2AMAPK1
SCHEMBL2335559 0.79 MAPT (0.40) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL2335563 0.79 MAPT (0.40) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL29367971 0.78 AHR (0.46) MAPTMEN1ALDH1A1KMT2AMAPK1
SCHEMBL2335555 0.77 GAA (0.51) MAPTALDH1A1LMNAHTTL3MBTL1
SCHEMBL5992360 0.76 VCAM1 (0.60) MAPTMEN1ALDH1A1KMT2AMAPK1
SCHEMBL5611161 0.75 NOTUM (0.44) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL17320639 0.74 GPR35 (0.45) MAPTMEN1ALDH1A1KMT2AMAPK1

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-0261478-B1 4,5-DIHYDRO-OXAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1991-04-24 EP disclosed
US-4818760-A ANTIULCER AGENT, ENZYME INHIBITOR CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1989-04-04 US 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