SCHEMBL30132049

SCHEMBL30132049

C=C(c1ccccc1N(c1ccccc1)c1ccccc1)c1ccccc1N(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3972799 0.90 MEN1 (0.44) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL5176530 0.90 MEN1 (0.44) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL2419157 0.85 MEN1 (0.41) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL4586001 0.78 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL1227194 0.78 ALDH1A1 (0.54) ALDH1A1MAPTTDP1KDM4ETP53
SCHEMBL28041828 0.77 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ECYP2C19TP53
Benzene SCHEMBL28236695 0.75 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL29673955 0.75 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL329168 0.75 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL31179917 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ETP53TSHR

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-113354777-B Preparation method of multifunctional SIBR (silicon-oxygen-nitrogen-containing) integrated rubber with adjustable silicon-oxygen/nitrogen group sequence by one-step feeding control 大连理工大学(CN) 2023-01-13 CN claimed