SCHEMBL8092219

SCHEMBL8092219

CN(C(=S)CC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.53
FAAH O00519 1/20 0.50
PHGDH O43175 1/20 0.50
MGLL Q99685 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL8090267 0.81 ALDH1A1 (0.55) LMNAALDH1A1CA1CA2HSP90AA1
SCHEMBL10731714 0.80 NPSR1 (0.52) LMNAL3MBTL1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL307215 0.80 KMT2A (0.54) LMNAL3MBTL1ALDH1A1HTTKMT2A
SCHEMBL9267696 0.80 SMN1; SMN2 (0.50) LMNAL3MBTL1ALDH1A1HTTMAPT
SCHEMBL9270615 0.78 GAA (0.47) LMNAALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL5175591 0.76 HTT (0.46) LMNAL3MBTL1ALDH1A1FAAHPHGDH
SCHEMBL1760632 0.75 KMT2A (0.58) LMNAL3MBTL1ALDH1A1HTTKMT2A
SCHEMBL1537235 0.74 ALDH1A1 (0.58) LMNAL3MBTL1ALDH1A1FAAHPHGDH
SCHEMBL14273119 0.74 FAAH (0.47) LMNAL3MBTL1ALDH1A1FAAHPHGDH
SCHEMBL4026284 0.74 KMT2A (0.51) LMNAL3MBTL1ALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1048296-A1 DRUGS AUGMENTING NKT CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
WO-1995024395-A1 QUINOLINE DERIVATIVES AS IMMUNOMODULATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed