SCHEMBL28175249

SCHEMBL28175249

[CH2]c1ccc2c(OCC)ccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
POLB P06746 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
APP P05067 2/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
LMNA P02545 1/20 0.38
MET P08581 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10377143 0.80 POLB (0.63) POLBTHRBSMN1; SMN2HPGDAPP
SCHEMBL4538513 0.80 HPGD (0.49) SYKPOLBTHRBSMN1; SMN2HPGD
SCHEMBL13443841 0.79 HTR1A (0.57) SYKAPPHTR1AADRA1DADRA1A
SCHEMBL526387 0.75 LOXL2 (0.48) SYKPOLBTHRBSMN1; SMN2HPGD
SCHEMBL13876457 0.75 LOXL2 (0.48) SYKPOLBTHRBSMN1; SMN2HPGD
SCHEMBL17941862 0.73 MET (0.50) SMN1; SMN2IRAK4LMNAMETKDM4E
SCHEMBL25312393 0.72 SMN1; SMN2 (0.50) POLBTHRBSMN1; SMN2HPGDADRA1A
SCHEMBL23652014 0.72 CYP3A4 (0.55) APPMET
SCHEMBL7834552 0.71 CYP2A6 (0.44) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL309719 0.70 KDM4E (0.46) POLBSMN1; SMN2HPGDADRA1ALMNA

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
CN-107438598-A QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF 米伦纽姆医药公司 2017-12-05 CN disclosed