SCHEMBL9542558

SCHEMBL9542558

CSc1nc2ccccc2c2sc(C(=O)O)c(OCC#N)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
MAPT P10636 9/20 0.38
TDP1 Q9NUW8 4/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL9541213 0.90 MAPT (0.40) PTPN2PTPN1MAPTTDP1TP53
SCHEMBL9540900 0.80 KDM4E (0.41) PTPN2PTPN1MAPTTDP1TP53
SCHEMBL9542576 0.75 NMT2 (0.34) KMT2AALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL6652136 0.71 PTPN2 (0.52) PTPN2PTPN1KMT2AALDH1A1KDM4E
SCHEMBL9542450 0.70 KDM4E (0.43) PTPN2PTPN1MAPTKMT2AALDH1A1
SCHEMBL9542443 0.70 MAPT (0.38) MAPTTDP1TP53KMT2AALDH1A1
SCHEMBL9543711 0.67 RXFP1 (0.43) TDP1TP53KMT2AALDH1A1KDM4E
SCHEMBL9542440 0.65 ALDH1A1 (0.39) MAPTTDP1KMT2AALDH1A1KDM4E
SCHEMBL3194810 0.62 PTPN1 (0.61) PTPN2PTPN1KMT2AALDH1A1KDM4E
SCHEMBL8920574 0.62 EDNRA (0.50) PTPN1MAPTTDP1KMT2AALDH1A1

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