SCHEMBL19982890

SCHEMBL19982890

CCOC(=O)C1OC(c2ccccc2)=NC1CCC#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 8/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL19975244 0.87 TSHR (0.49) TSHRRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL19974968 0.84 TSHR (0.51) TSHRRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL19975271 0.80 TSHR (0.52) TSHRRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8036861 0.77 TSHR (0.56) TSHRRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL8036865 0.77 TSHR (0.56) TSHRRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL28316771 0.72 MMP9 (0.43) SMN1; SMN2L3MBTL1
SCHEMBL1338859 0.71 TSHR (0.44) TSHRRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13368331 0.69 TARBP2 (0.42) TSHRRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13909205 0.69 TSHR (0.40) TSHRALDH1A1KDM4EPOLBTP53
SCHEMBL28316772 0.69 MMP9 (0.46) TSHRSMN1; SMN2MAPTPOLBTP53

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-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed