SCHEMBL7672546

SCHEMBL7672546

COc1nn(C)c(=O)n1Cc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HIF1A Q16665 1/20 0.51
MAPK1 P28482 2/20 0.49
LMNA P02545 5/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 4/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
PRNP P04156 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7667797 0.86 MAPT (0.42) MAPTHPGDALDH1A1HIF1AMAPK1
SCHEMBL7666957 0.84 MAPT (0.42) MAPTALDH1A1HIF1ALMNAKMT2A
SCHEMBL7669294 0.83 MEN1 (0.44) MAPTHPGDALDH1A1KMT2AMEN1
SCHEMBL7667952 0.81 FAAH (0.56) MAPTALDH1A1HIF1AMAPK1KMT2A
SCHEMBL7690530 0.79 AVPR2 (0.44) MAPTALDH1A1HIF1AMAPK1LMNA
SCHEMBL7660231 0.78 MEN1 (0.41) MAPTHPGDALDH1A1LMNAKMT2A
SCHEMBL7667201 0.77 TP53 (0.40) MAPTLMNASMN1; SMN2POLB
SCHEMBL7660286 0.77 MAPT (0.46) MAPTHPGDALDH1A1HIF1AMAPK1
SCHEMBL7672500 0.77 MAPT (0.45) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7660068 0.76 TLR7 (0.42) MAPTHPGDALDH1A1KMT2AMEN1

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