SCHEMBL5809090

SCHEMBL5809090

N#Cc1ccc(CNC(O)=S)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.57
EPHX2 P34913 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX12 P18054 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CYP19A1 P11511 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 2/20 0.46
CYP2A6 P11509 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAOA P21397 2/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL6561094 0.83 LOXL2 (0.55) LOXL2EPHX2MEN1KMT2AALOX12
SCHEMBL1695664 0.81 LOXL2 (0.57) LOXL2EPHX2CYP19A1CA12CA1
SCHEMBL20496872 0.80 LOXL2 (0.61) LOXL2EPHX2MEN1KMT2AALOX12
SCHEMBL6444359 0.77 LOXL2 (0.57) LOXL2EPHX2CYP19A1CA12CA1
SCHEMBL5315293 0.76 LOXL2 (0.60) LOXL2EPHX2MEN1KMT2APOLB
SCHEMBL22250101 0.76 EPHX2 (0.55) LOXL2EPHX2CYP19A1CA12CA1
SCHEMBL6563716 0.76 CYP2C9 (0.59) LOXL2EPHX2CYP19A1CA12CA1
SCHEMBL5317088 0.76 EPHX2 (0.55) LOXL2EPHX2CYP19A1CA12CA1
SCHEMBL850732 0.76 LOXL2 (0.55) LOXL2EPHX2MEN1KMT2ACYP19A1
SCHEMBL15682956 0.75 EPHX2 (0.51) LOXL2EPHX2CYP19A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006102594-A1 NUCLEOSIDE PRODRUGS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-09-28 WO disclosed
EP-1680129-A2 INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORS AS PHOSPHONATE DERIVATIVES GILEAD SCIENCES, INC. (US) 2006-07-19 EP disclosed
WO-2005039552-A2 INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORS AS PHOSPHONATE DERIVATIVES GILEAD SCIENCES, INC. (US) 2005-05-06 WO disclosed