SCHEMBL7326864

SCHEMBL7326864

COc1ccc(C(=O)NNC(N)=S)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.69
CRHR2 Q13324 2/20 0.69
KMT2A Q03164 1/20 0.63
MAPT P10636 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 2/20 0.61
CA1 P00915 4/20 0.61
CA2 P00918 3/20 0.61
GAA P10253 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HTT P42858 3/20 0.60
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CYP2C19 P33261 1/20 0.60
PLK1 P53350 1/20 0.58
CA9 Q16790 1/20 0.57
PARP1 P09874 1/20 0.56
PARP10 Q53GL7 1/20 0.56

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
SCHEMBL11705060 0.87 MAPT (0.79) CRHBPCRHR2KMT2AMAPTL3MBTL1
SCHEMBL12858639 0.84 CRHBP (0.66) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL8731122 0.83 MAPT (0.63) CRHBPCRHR2KMT2AMAPTL3MBTL1
SCHEMBL19899864 0.80 MAPT (0.69) CRHBPCRHR2KMT2AMAPTL3MBTL1
SCHEMBL8727275 0.80 CA1 (0.72) CRHBPCRHR2MAPTL3MBTL1LMNA
SCHEMBL4927732 0.80 GAA (0.75) KMT2AMAPTL3MBTL1LMNAGAA
SCHEMBL4930245 0.80 MAPT (0.69) CRHBPCRHR2KMT2AMAPTL3MBTL1
SCHEMBL6538953 0.80 CA1 (0.81) CRHBPCRHR2KMT2AMAPTL3MBTL1
SCHEMBL7322968 0.80 HTT (0.67) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL29123185 0.80 CA1 (0.67) KMT2AMAPTL3MBTL1CA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed