SCHEMBL4392357

SCHEMBL4392357

c1ccc(C(=NC2CCCCC2)C(=NC2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
KDM4E B2RXH2 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL30762071 0.83 ALDH1A1 (0.47) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL30762062 0.83 ALDH1A1 (0.47) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL8547998 0.83 ALDH1A1 (0.47) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11385357 0.80 ALDH1A1 (0.45) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11369165 0.80 ALDH1A1 (0.62) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11369162 0.80 ALDH1A1 (0.62) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11385359 0.80 ALDH1A1 (0.45) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL3443254 0.78 ALDH1A1 (0.59) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL13107925 0.78 ALDH1A1 (0.59) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL3443253 0.78 ALDH1A1 (0.59) MEN1KMT2AALOX15ALDH1A1TSHR

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
WO-2009123675-A1 IMPROVED CARBONYLATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2009-10-08 WO disclosed