SCHEMBL8550652

SCHEMBL8550652

CCCCCNc1sccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
CNR2 P34972 1/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
ALOX12 P18054 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.41

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
SCHEMBL7306619 0.95 KMT2A (0.52) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL2208082 0.89 KMT2A (0.55) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL9383034 0.85 ABCC1 (0.50)
SCHEMBL353597 0.85 KMT2A (0.50) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL2205998 0.83 KMT2A (0.58) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL15635135 0.80 ABCC1 (0.51) KDM4EALDH1A1
SCHEMBL4958305 0.79 NPC1 (0.65) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL7842718 0.78 TSHR (0.46) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL1863176 0.77 NPC1 (0.55) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL1868477 0.77 NPC1 (0.55) KMT2AMEN1SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed