SCHEMBL8845327

SCHEMBL8845327

CC(=O)N1C=NN(Nc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 5/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL8845522 0.72 MAPT (0.42) KMT2AMEN1MAPTLMNANPC1
SCHEMBL8845438 0.72 SMN1; SMN2 (0.44) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL8845932 0.71 BCHE (0.45) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL8845309 0.70 MAPT (0.46) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8845246 0.69 KCNJ1 (0.47) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8845468 0.69 CYP19A1 (0.40) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8845463 0.69 KCNJ1 (0.44) KMT2AMEN1MAPTMAPK1SMN1; SMN2
Acetic Acid SCHEMBL6967868 0.68 GAA (0.43) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8845454 0.67 TGM2 (0.46) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8845195 0.67 POLB (0.37) KMT2AMEN1MAPTSMN1; SMN2LMNA

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
US-5674886-A AROMATASE INHIBITOR; BREAST CANCER; UROGENITAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-07 US disclosed