SCHEMBL8019109

SCHEMBL8019109

Nc1ccccc1C1(c2ccccc2N)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL4929120 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL8058021 0.84 TP53 (0.38) ALDH1A1L3MBTL1CYP3A4ALOX15SMN1; SMN2
SCHEMBL6838754 0.83 ALDH1A1 (0.42) ALDH1A1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL28400015 0.82 OPRM1 (0.54) ALDH1A1L3MBTL1
SCHEMBL8060417 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL8042422 0.80 PDK2 (0.38) ALDH1A1L3MBTL1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL18647812 0.79 PDK2 (0.49) ALDH1A1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL632646 0.78 OPRM1 (0.37) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL7101793 0.78 OPRM1 (0.37) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL4059983 0.78 KDM1A (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054554-A HEAT RESISTANT; RADIATION TRANSPARENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-04-25 US claimed
JP-7097529-A None JP disclosed
WO-2019203037-A1 POLYMER BLEND COMPOSITION AND POLYMER FILM コニカミノルタ株式会社 2019-10-24 WO disclosed
US-6054554-A HEAT RESISTANT; RADIATION TRANSPARENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-04-25 US disclosed
US-6031067-A Soluble polyimide resin and process of preparation of the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-02-29 US disclosed
JP-H0797529-A TRISAZO DYE, ITS PRODUCTION AND AQUEOUS INK COMPOSITION CONTAINING THE SAME DYE ORIENT CHEM IND LTD 1995-04-11 JP disclosed