SCHEMBL28977643

SCHEMBL28977643

CCOc1ccc(-c2ccccc2N)c(N)c1OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 1/20 0.37
TLR8 Q9NR97 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL3786128 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL396133 0.79 ALDH1A1 (0.70) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL3791660 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL31195715 0.75 PTPRC (0.46) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL3789873 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL3784592 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL31607632 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL28404724 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL28409794 0.73 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL5050464 0.73 ALDH1A1 (0.67) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10

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-115891346-A Metal-clad laminate, circuit board, electronic component, and electronic device 日铁化学材料株式会社 2023-04-04 CN disclosed