SCHEMBL5486874

SCHEMBL5486874

C[C@@H](Nc1c(-c2cc3c(cc2Cl)OCO3)c(Cl)nc2ncnn12)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLK1 P53350 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRHR1 P34998 1/20 0.32
HTT P42858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE2A O00408 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
SCHEMBL5329174 0.82
SCHEMBL5329170 0.82
SCHEMBL4820336 0.79 ALDH1A1 (0.33) MAPK1TSHRGAAL3MBTL1ALDH1A1
SCHEMBL5334653 0.78 MAPK1 (0.33) MAPK1TSHRGAAL3MBTL1ALDH1A1
SCHEMBL4817198 0.76 USP2 (0.37) MAPK1GAAL3MBTL1ALDH1A1MEN1
SCHEMBL5328026 0.76 L3MBTL1 (0.32) MAPK1TSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5328032 0.76 L3MBTL1 (0.32) MAPK1TSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5593127 0.76 TSHR (0.35) MAPK1TSHRGAAL3MBTL1ALDH1A1
SCHEMBL4821067 0.76 ALDH1A1 (0.32) MAPK1TSHRGAAL3MBTL1ALDH1A1
SCHEMBL4818487 0.76 ENPP1 (0.34) MAPK1TSHRGAAL3MBTL1ALDH1A1

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-2007147829-A1 AZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING HARMFUL FUNGI BASF SE (DE) 2007-12-27 WO disclosed