SCHEMBL28129178

SCHEMBL28129178

CCCCCCC(C)c1cc(N)ccc1Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
APOBEC3A P31941 1/20 0.40
RECQL P46063 1/20 0.40
CASP6 P55212 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CSNK1E P49674 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 2/20 0.36
GFER P55789 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
SCHEMBL18039253 0.84 MAPT (0.44) ALDH1A1GAATDP1HTTALOX15
SCHEMBL11800482 0.84 KCNH3 (0.40) ALDH1A1GAATDP1HTTMAPT
SCHEMBL3337211 0.80 ALDH1A1 (0.51) ALDH1A1GAATDP1HTTALOX15
SCHEMBL465496 0.78 NR3C2 (0.39) ALDH1A1TDP1MAPTKDM4EKMT2A
SCHEMBL11800992 0.78 ALDH1A1 (0.43) ALDH1A1GAATDP1HTTALOX15
SCHEMBL6073044 0.77 GAA (0.59) ALDH1A1GAATDP1HTTALOX15
SCHEMBL2878717 0.76 TSHR (0.38) ALDH1A1GAAHTTMAPTKDM4E
SCHEMBL11538867 0.76 TSHR (0.38) ALDH1A1GAAHTTMAPTKDM4E
SCHEMBL7196552 0.76 GAA (0.50) ALDH1A1GAATDP1HTTALOX15
SCHEMBL27525500 0.74 OPRM1 (0.36) ALDH1A1GAAHTTALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110446732-A The polyurethane discharged with reduced aldehyde DOW GLOBAL TECHNOLOGIES LLC 2019-11-12 CN disclosed
CN-110446733-A The polyurethane foam discharged with reduced aldehyde DOW GLOBAL TECHNOLOGIES LLC 2019-11-12 CN disclosed
CN-110446731-A Polyurethane foam with low aldehyde emission level DOW GLOBAL TECHNOLOGIES LLC 2019-11-12 CN disclosed
CN-106459255-B Oxygen-containing imide copolymer or high molecular polymer as flame retardant for plastic material 弗劳恩霍夫应用研究促进协会 2019-11-05 CN disclosed
CN-106459255-A Copolymers or polymers containing oxygen imides as flame retardants for plastics materials 弗劳恩霍夫应用研究促进协会 2017-02-22 CN disclosed