SCHEMBL3949908

SCHEMBL3949908

O=CCCN1CCN(CCCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PAOX Q6QHF9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.32
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL3951701 0.91 HIF1A (0.38) PIM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3950976 0.86 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5362273 0.83
SCHEMBL3955016 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL19616839 0.83 TSHR (0.35) PIM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1616084 0.81
SCHEMBL972563 0.81 KDM4E (0.46) PIM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL23775526 0.78 KEAP1 (0.48) SMN1; SMN2ACE2
SCHEMBL1306555 0.78 HSD17B10 (0.46) PIM1MEN1KMT2AALDH1A1KDM4E
Fluoride SCHEMBL11245451 0.78 KDM4E (0.50) PIM1MEN1KMT2AALDH1A1KDM4E

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