SCHEMBL5331674

SCHEMBL5331674

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
TSHR P16473 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
PIK3CA P42336 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
PDE2A O00408 1/20 0.30
PIK3CD O00329 2/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL5334653 0.91 MAPK1 (0.33) MAPK1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL5328072 0.88 TSHR (0.33) MAPK1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL5327731 0.81 MAPK1 (0.35) MAPK1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL5495636 0.76 LMNA (0.32) MAPK1TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL5328026 0.72 L3MBTL1 (0.32) MAPK1TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL5328032 0.72 L3MBTL1 (0.32) MAPK1TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL4817198 0.72 USP2 (0.37) MAPK1L3MBTL1GAAALDH1A1SMN1; SMN2
SCHEMBL4933852 0.71 NPSR1 (0.39) TSHRHSD17B10L3MBTL1ALDH1A1HPGD
SCHEMBL4933864 0.71 NPSR1 (0.39) TSHRHSD17B10L3MBTL1ALDH1A1HPGD
SCHEMBL3608660 0.70 MAPK1 (0.37) MAPK1TSHRGAAALDH1A1

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