SCHEMBL3531020

SCHEMBL3531020

OC/C=C\CN1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
MAPT P10636 3/20 0.36
ATM Q13315 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
LMNA P02545 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1466735 1.00 LTA4H (0.36) LTA4HMAPTATMCHRNB2CHRNB4
SCHEMBL1467148 1.00 LTA4H (0.36) LTA4HMAPTATMCHRNB2CHRNB4
SCHEMBL9330121 0.97 CHRNB2 (0.38) LTA4HMAPTATMCHRNB2CHRNB4
SCHEMBL8782038 0.89 MEN1 (0.30) MEN1KMT2ALMNA
SCHEMBL23872300 0.86 LTA4H (0.42) LTA4HMAPTATMCHRNB2CHRNB4
SCHEMBL10748748 0.83 HRH3 (0.43) LTA4HMAPTCHRNB2CHRNB4CHRNA3
SCHEMBL7227482 0.83 HRH3 (0.43) LTA4HMAPTCHRNB2CHRNB4CHRNA3
SCHEMBL23872301 0.83 HRH3 (0.43) LTA4HMAPTCHRNB2CHRNB4CHRNA3
SCHEMBL3532703 0.78 KDM4E (0.45) GAAALDH1A1POLB
SCHEMBL1467290 0.78 KDM4E (0.45) GAAALDH1A1POLB

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-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed