SCHEMBL7572154

SCHEMBL7572154

OCC(O)CN1CCCCCC1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.95
MAPT P10636 1/20 0.95
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
HSD17B10 Q99714 2/20 0.55
CYP2D6 P10635 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.46
TSHR P16473 2/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 3/20 0.44
USP2 O75604 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL5218128 1.00 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL4376160 1.00 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL4378012 1.00 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL64167 1.00 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL4381896 0.97 ATM (1.00) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL10477 0.97 ATM (1.00) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL4382059 0.97 ATM (1.00) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL3966681 0.95 ATM (0.86) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL3971687 0.95 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL7571918 0.92

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed