SCHEMBL28115344

SCHEMBL28115344

S=C(NCCC1CNCCO1)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 4/20 0.48
RAB9A P51151 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX12 P18054 2/20 0.44
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL28001720 0.76 BRD4 (0.54)
SCHEMBL28239587 0.76 HDAC6 (0.47) MAPTLMNAL3MBTL1CYP3A4CYP2C19
SCHEMBL5619654 0.75 CHEK1 (0.52) MAPT
SCHEMBL17237648 0.75 EPHX2 (0.48) GAASMN1; SMN2LMNAPKM
SCHEMBL28115373 0.73 KMT2A (0.51) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL23458787 0.72 SLC6A2 (0.47) SMN1; SMN2RAB9ANPC1
SCHEMBL8956279 0.72 KMT2A (0.78) GAAMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL18427678 0.71 MEN1 (0.46) TDP1KMT2AMEN1
SCHEMBL15795818 0.71 BRD4 (0.39)
SCHEMBL28115345 0.71 ALDH1A1 (0.48) GAAALDH1A1MAPK1SMN1; SMN2KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107189197-B Comprehensive conveying pipe for high-strength insulating flame-retardant pipeline gallery 上海中塑管业有限公司 2020-05-12 CN claimed
CN-106220994-B A kind of high intensity PP-RCT anti-flaming tubular products and preparation method 刘志光 2018-06-01 CN claimed
CN-107189197-A The fire-retardant comprehensive colliery carries tubing of pipeline gallery of high-strength insulating 上海中塑管业有限公司 2017-09-22 CN claimed
CN-106220994-A A kind of high intensity PP RCT anti-flaming tubular product and preparation method 刘志光 2016-12-14 CN claimed
CN-107189197-B Comprehensive conveying pipe for high-strength insulating flame-retardant pipeline gallery 上海中塑管业有限公司 2020-05-12 CN disclosed
CN-106220994-B A kind of high intensity PP-RCT anti-flaming tubular products and preparation method 刘志光 2018-06-01 CN disclosed
CN-107189197-A The fire-retardant comprehensive colliery carries tubing of pipeline gallery of high-strength insulating 上海中塑管业有限公司 2017-09-22 CN disclosed
CN-106220994-A A kind of high intensity PP RCT anti-flaming tubular product and preparation method 刘志光 2016-12-14 CN disclosed