SCHEMBL7474993

SCHEMBL7474993

O=C(O)OCn1c(-c2ccccc2)ncc([N+](=O)[O-])c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
EGFR P00533 4/20 0.38
ERBB2 P04626 4/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
PIN1 Q13526 3/20 0.36
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6241617 0.84 KDM4E (0.44) EGFRERBB2MEN1KMT2ARAB9A
SCHEMBL7474272 0.79 KMT2A (0.38) SMN1; SMN2MEN1KMT2ARAB9ALMNA
SCHEMBL7476393 0.78 ALDH1A1 (0.47) SMN1; SMN2RAB9AL3MBTL1ALDH1A1NPC1
SCHEMBL7474776 0.78 ALDH1A1 (0.46) MEN1KMT2ARAB9APOLBL3MBTL1
SCHEMBL7478693 0.77 ALDH1A1 (0.38) SMN1; SMN2MEN1KMT2ARAB9APOLB
SCHEMBL7472903 0.74 ALDH1A1 (0.56) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL6803122 0.63 CMA1 (0.52) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL25335381 0.62 CRHBP (0.49) SMN1; SMN2MEN1KMT2ARAB9ALMNA
SCHEMBL30765677 0.62 KDM4E (0.49) L3MBTL1ALDH1A1ELANECYP1A2CYP2C9
SCHEMBL17111627 0.62 MAPK1 (0.45) SMN1; SMN2MEN1KMT2ARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP disclosed