SCHEMBL28875360

SCHEMBL28875360

O=C(NNC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
CYP2C9 P11712 2/20 0.71
RAB9A P51151 6/20 0.68
NPC1 O15118 5/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
GAA P10253 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
PTGS2 P35354 1/20 0.61
HDAC3 O15379 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
IDO1 P14902 1/20 0.58
ALOX15 P16050 1/20 0.58
HDAC1 Q13547 1/20 0.58
CA9 Q16790 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58

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
SCHEMBL400890 0.92 RAB9A (0.77) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1
SCHEMBL20281086 0.91 RAB9A (0.63) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1
SCHEMBL12324391 0.90 RAB9A (0.82) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1
SCHEMBL27304504 0.89 RAB9A (0.61) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1
SCHEMBL4654089 0.87 RAB9A (0.59) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1
SCHEMBL3724445 0.85 RAB9A (0.68) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1
SCHEMBL20287824 0.83 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1
SCHEMBL13401877 0.83 CYP2C9 (0.54) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1
SCHEMBL10309466 0.83 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1CTDSP1GAA
Malonic Acid SCHEMBL30274338 0.83 RAB9A (0.65) SMN1; SMN2CYP2C9RAB9ANPC1CTDSP1

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-115135707-A Flame-retardant material 博里利斯股份公司 2022-09-30 CN disclosed