SCHEMBL7672500

SCHEMBL7672500

COc1nn(C)c(=O)n1Cc1ccc(Cc2cccc(C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RGS4 P49798 2/20 0.39
RGS8 P57771 2/20 0.39
NPBWR1 P48145 1/20 0.39
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
TYRO3 Q06418 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7667866 0.87 MAPT (0.50) MAPTKMT2AALDH1A1L3MBTL1LMNA
SCHEMBL7666955 0.82 FAAH (0.50) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL7812471 0.81 RGS4 (0.45) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL7674100 0.78 CMA1 (0.39) MEN1KMT2AALDH1A1TP53POLB
SCHEMBL7667328 0.78 MAPT (0.41) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL7667797 0.77 MAPT (0.42) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL7672546 0.77 MAPT (0.52) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL7667952 0.74 FAAH (0.56) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL7660231 0.74 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7672496 0.74 TP53 (0.41) MAPTMEN1KMT2AALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed