SCHEMBL9540900

SCHEMBL9540900

COc1c2ccccc2nc2sc(C(=O)O)c(OCC#N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PTGES O14684 1/20 0.36
KMT2A Q03164 4/20 0.36
PKM P14618 3/20 0.36
MEN1 O00255 3/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9542450 0.82 KDM4E (0.43) KDM4EALDH1A1POLBALOX15NPC1
SCHEMBL9542558 0.80 PTPN2 (0.38) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL9543715 0.77 ALDH1A1 (0.41) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL9543711 0.73 RXFP1 (0.43) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL6652136 0.73 PTPN2 (0.52) KDM4EALDH1A1KMT2APTPN2PTPN1
SCHEMBL8920574 0.71 EDNRA (0.50) KDM4EALDH1A1POLBALOX15NPC1
SCHEMBL9539860 0.70 KDM4E (0.43) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL9540959 0.69 ALDH1A1 (0.41) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL9542576 0.69 NMT2 (0.34) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL9543599 0.69 GAA (0.41) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2

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-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed