SCHEMBL28864895

SCHEMBL28864895

CC(=O)Nc1ccc(N[N+]#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 7/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
BRD4 O60885 1/20 0.57
NR1I2 O75469 1/20 0.57
MB P02144 1/20 0.57
CYP1A1 P04798 1/20 0.57
CA3 P07451 1/20 0.57
CYP3A4 P08684 1/20 0.57
RARG P13631 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL861674 0.82 SMN1; SMN2 (0.84) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL112275 0.79 KMT2A (0.60) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
Hydrochloric Acid SCHEMBL11334844 0.78 KMT2A (0.58) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL540955 0.76 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL11925383 0.76 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL11158565 0.75 MAPT (0.83) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL3818831 0.75 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL13616159 0.73 CA1 (0.61) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL239767 0.73 KMT2A (0.53) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
Acetaminophen SCHEMBL252939 0.73 KMT2A (1.00) SMN1; SMN2L3MBTL1HTTKMT2AMEN1

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-113388261-B Synthetic method of dye for polarizer 宁夏保隆科技有限公司 2022-09-20 CN claimed