SCHEMBL6627399

SCHEMBL6627399

CNC(=O)C(=NOC)c1ccccc1CON=CCc1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.41
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL828432 0.81 HIF1A (0.44) HIF1ATSHRRAB9ACYP3A4CYP2D6
SCHEMBL7101382 0.81 HIF1A (0.44) HIF1ATSHRRAB9ACYP3A4CYP2D6
SCHEMBL2866788 0.80 HIF1A (0.49) HIF1AKMT2AMEN1RAB9ANPC1
SCHEMBL29673995 0.80 HIF1A (0.49) HIF1AKMT2AMEN1RAB9ANPC1
SCHEMBL22326129 0.80 HIF1A (0.49) HIF1AKMT2AMEN1RAB9ANPC1
SCHEMBL31349879 0.80 HIF1A (0.49) HIF1AKMT2AMEN1RAB9ANPC1
SCHEMBL18420 0.80 HIF1A (0.49) HIF1AKMT2AMEN1RAB9ANPC1
SCHEMBL54336 0.80 HIF1A (0.49) HIF1AKMT2AMEN1RAB9ANPC1
SCHEMBL2890313 0.78 HIF1A (0.51) HIF1AKMT2AMEN1MAPTKDM4E
SCHEMBL2890312 0.78 HIF1A (0.51) HIF1AKMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395117-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES IN THE PROTECTION OF MATERIALS Bayer Chemicals AG (DE) 2004-03-10 EP disclosed
EP-1335909-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS Bayer Aktiengesellschaft (DE) 2003-08-20 EP disclosed
WO-2002094020-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES IN THE PROTECTION OF MATERIALS BAYER CHEMICALS AG (DE) 2002-11-28 WO disclosed
WO-2002034731-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 WO disclosed