SCHEMBL3949901

SCHEMBL3949901

O=[C]CCN1CCN(CCCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
PAOX Q6QHF9 1/20 0.33
HTT P42858 1/20 0.33
PIM1 P11309 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 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
SCHEMBL3951694 0.91 KMT2A (0.35) ALDH1A1PKMPOLBKMT2AMEN1
SCHEMBL3950972 0.86 ALDH1A1 (0.46) ALDH1A1PKMPOLBKMT2AMEN1
SCHEMBL21056410 0.83 ALDH1A1 (0.39) ALDH1A1POLBKMT2AMEN1KDM4E
SCHEMBL1616084 0.81
SCHEMBL972563 0.81 KDM4E (0.46) ALDH1A1POLBKMT2AMEN1KDM4E
SCHEMBL1306553 0.78 MEN1 (0.35) ALDH1A1POLBKMT2AMEN1KDM4E
SCHEMBL5218749 0.78 ALDH1A1 (0.70) ALDH1A1PKMPOLBLMNAHTT
Fluoride SCHEMBL11245451 0.78 KDM4E (0.50) ALDH1A1POLBKMT2AMEN1KDM4E
Fluoride SCHEMBL11250158 0.78 KDM4E (0.50) ALDH1A1POLBKMT2AMEN1KDM4E
SCHEMBL3950909 0.77 CHRM1 (0.43) KMT2AMEN1CYP1A2

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-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed