SCHEMBL8042422

SCHEMBL8042422

CCc1ccc(N)c(C2(c3ccccc3N)CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
HDAC4 P56524 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
KIF11 P52732 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8055201 0.85 SKP2 (0.42) SLC6A2SLC6A4
SCHEMBL8019109 0.80 ALDH1A1 (0.45) SLC6A2SLC6A4ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8058021 0.80 TP53 (0.38) KDM1AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8060417 0.77 ALDH1A1 (0.37) KIF11KDM1AALDH1A1L3MBTL1NPC1
SCHEMBL4059983 0.70 KDM1A (0.41) HDAC4SLC6A2SLC6A4KDM1ASMN1; SMN2
SCHEMBL28400015 0.69 OPRM1 (0.54) ALDH1A1L3MBTL1
SCHEMBL8766383 0.69 HDAC4 (0.56) PDK2HDAC4SLC6A2SLC6A4MAPT
SCHEMBL8785507 0.68 KDM1A (0.42) HDAC4SLC6A2SLC6A4KDM1ASMN1; SMN2
SCHEMBL4929120 0.68 ALDH1A1 (0.43) SLC6A2SLC6A4KDM1AALDH1A1L3MBTL1
SCHEMBL8835889 0.67 TRPA1 (0.50) PDK2CYP1A2ALDH1A1MAPT

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
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