SCHEMBL9870690

SCHEMBL9870690

NC(=O)C(C(N)=O)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
NCF1 P14598 1/20 0.45
NOS2 P35228 1/20 0.45
BACE1 P56817 1/20 0.45
CNR2 P34972 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 2/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
IKBKB O14920 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL29457163 0.84 CYP1A2 (0.47) MGAMALDH1A1MAPTGAANCF1
Anthracene SCHEMBL10416586 0.80 MGAM (0.49) MGAMALDH1A1MAPTGAACNR2
SCHEMBL10069400 0.77 ALDH1A1 (0.48) MGAMALDH1A1MAPTGAANCF1
SCHEMBL7375731 0.76 ALDH1A1 (0.44) MGAMALDH1A1MAPTGAANCF1
SCHEMBL7774729 0.76 MGAM (0.52) MGAMALDH1A1MAPTGAACNR2
SCHEMBL10020390 0.75 ALDH1A1 (0.53) MGAMALDH1A1MAPTGAANCF1
SCHEMBL4729157 0.75 ALDH1A1 (0.46) MGAMALDH1A1MAPTGAACNR2
SCHEMBL9009627 0.74 NCF1 (0.50) MGAMALDH1A1MAPTNCF1NOS2
SCHEMBL7841128 0.74 CNR2 (0.49) ALDH1A1MAPTCNR2HSD17B10RAB9A
SCHEMBL3673078 0.74 KDM4E (0.55) MGAMALDH1A1MAPTCNR2HDAC8

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-5071989-A Ionophores DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1991-12-10 US disclosed