SCHEMBL28689342

SCHEMBL28689342

N=C=O.O=C=Nc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
KDM4E B2RXH2 6/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 3/20 0.40
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HIF1A Q16665 2/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 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
SCHEMBL632309 0.94 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ENPC1MAPTMEN1
Guanidine SCHEMBL5983629 0.88 MAPT (0.45) SMN1; SMN2KDM4ENPC1MAPTMEN1
SCHEMBL9445659 0.84 CYP3A4 (0.56) CYP3A4ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL12098459 0.80 MAPT (0.54) SMN1; SMN2KDM4ENPC1MAPTMEN1
SCHEMBL5097820 0.77 CYP3A4 (0.50) SMN1; SMN2KDM4ENPC1MAPTMEN1
SCHEMBL5456903 0.77 CYP3A4 (0.54) SMN1; SMN2KDM4ENPC1MAPTMEN1
SCHEMBL6999020 0.77 CYP3A4 (0.48) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL15431 0.77 CYP3A4 (0.64) SMN1; SMN2KDM4ENPC1MAPTMEN1
Catechol SCHEMBL28203735 0.77 ALDH1A1 (0.62) SMN1; SMN2KDM4ENPC1MAPTMEN1
SCHEMBL29395383 0.77 CYP3A4 (0.64) SMN1; SMN2KDM4ENPC1MAPTMEN1

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
CN-112048240-B Primer composition, metal laminate and method for producing the same 达迈科技股份有限公司 2022-03-01 CN disclosed