SCHEMBL3955889

SCHEMBL3955889

O=[C]NCCN1CCN(CCCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PIM1 P11309 1/20 0.32
USP2 O75604 1/20 0.32
PAOX Q6QHF9 1/20 0.32
CHUK O15111 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
DUSP3 P51452 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
SCHEMBL3949503 0.92 SMN1; SMN2 (0.40) ACE2SMN1; SMN2TP53MEN1KMT2A
SCHEMBL3949628 0.88 ALDH1A1 (0.43) ACE2TP53MEN1KMT2AALDH1A1
SCHEMBL3954098 0.84 ALDH1A1 (0.41) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL3948571 0.81 CHRM4 (0.38) ALDH1A1
SCHEMBL3950649 0.80 CHRM1 (0.40) ALDH1A1
SCHEMBL1307630 0.79 CARM1 (0.50) ACE2ALDH1A1POLBKDM4EMAPT
SCHEMBL5748703 0.79
SCHEMBL3952866 0.78 CHUK (0.33) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL1616084 0.78
SCHEMBL972563 0.78 KDM4E (0.46) SMN1; SMN2MEN1KMT2AALDH1A1LMNA

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