SCHEMBL30830441

SCHEMBL30830441

Nc1ccc(NC(=O)c2ccccc2N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.69
FADS1 O60427 3/20 0.63
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
PKM P14618 1/20 0.58
APEX1 P27695 1/20 0.58
P2RX1 P51575 1/20 0.58
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.53
MAOB P27338 1/20 0.52
GFER P55789 1/20 0.51
PRMT1 Q99873 1/20 0.51
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL2127535 1.00 PTGS1 (0.69) PTGS1FADS1MEN1KMT2ALMNA
SCHEMBL17744848 0.94 PTGS1 (0.75) PTGS1FADS1MEN1KMT2ALMNA
SCHEMBL17744771 0.93 POLB (0.71) PTGS1FADS1MEN1KMT2ALMNA
SCHEMBL8402954 0.90 KMT2A (0.64) PTGS1MEN1KMT2ALMNATDP1
SCHEMBL1140055 0.89 PTGS1 (0.68) PTGS1FADS1MEN1KMT2ALMNA
SCHEMBL4954215 0.87 PTGS1 (0.67) PTGS1FADS1MEN1KMT2ALMNA
SCHEMBL4957349 0.87 LMNA (0.69) PTGS1FADS1MEN1KMT2ALMNA
SCHEMBL5853941 0.86 PTGS1 (0.65) PTGS1FADS1MEN1KMT2ALMNA
SCHEMBL15361168 0.86 SMN1; SMN2 (0.68) PTGS1FADS1MEN1KMT2ALMNA
SCHEMBL1961988 0.86 FADS1 (0.73) PTGS1FADS1MEN1KMT2ATDP1

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-111234529-B Polyimide dielectric film and preparation method and application thereof 南方科技大学 2024-04-02 CN disclosed