SCHEMBL5334653

SCHEMBL5334653

C[C@@H](Nc1c(-c2cccc3c2OCCO3)c(Cl)nc2ncnn12)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
TSHR P16473 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL5328072 0.92 TSHR (0.33) MAPK1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL5331674 0.91 MAPK1 (0.34) MAPK1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL5328026 0.81 L3MBTL1 (0.32) MAPK1TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL5328032 0.81 L3MBTL1 (0.32) MAPK1TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL4817198 0.80 USP2 (0.37) MAPK1L3MBTL1GAAALDH1A1SMN1; SMN2
SCHEMBL5327731 0.80 MAPK1 (0.35) MAPK1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL4818487 0.79 ENPP1 (0.34) MAPK1TSHRL3MBTL1GAAALDH1A1
SCHEMBL5486874 0.78 MAPK1 (0.35) MAPK1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL5328138 0.77 AAK1 (0.32) MAPK1TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL5328145 0.77 AAK1 (0.32) MAPK1TSHRL3MBTL1ALDH1A1HPGD

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