SCHEMBL29049784

SCHEMBL29049784

O=CNNc1ccc(NNC=O)nc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 4/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31

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
SCHEMBL19215999 0.82 FFAR2 (0.38) SMN1; SMN2KMT2AMEN1ALOX12RAB9A
SCHEMBL28112588 0.78 KCNQ3 (0.44) SMN1; SMN2RAB9A
SCHEMBL27833168 0.71 ALDH1A1 (0.43) SMN1; SMN2KMT2AMEN1ALOX12RAB9A
SCHEMBL9644441 0.70 ALDH1A1 (0.31)
SCHEMBL6671214 0.70 TGM2 (0.41) KMT2AMEN1ALOX12RAB9ANPC1
SCHEMBL1448814 0.69 NPC1 (0.48) SMN1; SMN2KMT2AMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL27945887 0.69 ALDH1A1 (0.41) SMN1; SMN2KMT2AMEN1ALOX12RAB9A
SCHEMBL28224819 0.68 CHRNB2 (0.36) SMN1; SMN2KDR
SCHEMBL28112593 0.68 TP53 (0.46) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL27753989 0.67 GAA (0.39) SMN1; SMN2KMT2AMEN1ALOX12RAB9A

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-116410441-A Water-based polyurethane-acrylate emulsion and preparation method thereof 万华化学集团股份有限公司 2023-07-11 CN claimed