SCHEMBL19002845

SCHEMBL19002845

CNc1ccc(Cl)nc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MERTK Q12866 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
APP P05067 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PGK1 P00558 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
CCR4 P51679 2/20 0.32

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
SCHEMBL908706 0.78 MERTK (0.37) CRHBPCRHR2MERTKMAPTMAPK1
SCHEMBL16693759 0.78 APOBEC3A (0.38) MAPTMAPK1ALDH1A1SMN1; SMN2HPGD
SCHEMBL14088962 0.78 POLB (0.47) MAPTMAPK1ALDH1A1SMN1; SMN2HPGD
SCHEMBL18979088 0.77 ALDH1A1 (0.48) MAPTMAPK1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3707609 0.77 MAPT (0.47) MERTKMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL29618075 0.77 ALDH1A1 (0.48) MAPTMAPK1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27046184 0.76 APP (0.34) MAPTMAPK1ALDH1A1APP
SCHEMBL2116753 0.75 ALDH1A1 (0.41) CRHBPCRHR2MERTKMAPTALDH1A1
SCHEMBL30503540 0.74 CRHBP (0.59) CRHBPCRHR2MERTKMAPTALDH1A1
SCHEMBL15718645 0.74 SIRT2 (0.36) CRHBPCRHR2ALDH1A1GAASMN1; SMN2

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
EP-3181560-A1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Shanghai Allist Pharmaceuticals, Inc. (CN) 2017-06-21 EP disclosed