SCHEMBL7280476

SCHEMBL7280476

COC(=O)COc1ccc(C(=O)NNC(=O)c2ccc(C(N)=S)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 3/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 6/20 0.48
GAA P10253 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTT P42858 5/20 0.47
CYP2C19 P33261 2/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
UBE2N P61088 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL7283709 0.86 ITGB3 (0.52) KMT2AALDH1A1POLBCTDSP1LMNA
SCHEMBL8770197 0.83 NPC1 (0.51) KMT2AALDH1A1POLBLMNAL3MBTL1
SCHEMBL7293325 0.83 POLB (0.44) KMT2AALDH1A1POLBLMNAL3MBTL1
SCHEMBL8770183 0.83 NPC1 (0.51) KMT2AALDH1A1POLBLMNAL3MBTL1
SCHEMBL7283738 0.83 POLB (0.44) KMT2AALDH1A1POLBLMNAL3MBTL1
SCHEMBL7292912 0.80 ALDH1A1 (0.52) KMT2AALDH1A1POLBCTDSP1LMNA
SCHEMBL8770195 0.80 POLB (0.70) KMT2AALDH1A1POLBL3MBTL1MAPT
SCHEMBL8359480 0.79 ALDH1A1 (0.49) KMT2AALDH1A1POLBCTDSP1LMNA
SCHEMBL2116437 0.78 PTGS2 (0.66) KMT2AALDH1A1POLBLMNAL3MBTL1
SCHEMBL9273376 0.76 MEN1 (0.52) KMT2AALDH1A1POLBL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981531-A FOR INHIBITING PLATELET AGGREGATION ZENECA LIMITED (GB) 1999-11-09 US disclosed
US-5760057-A ANTICOAGULANTS ZENECA LIMITED (GB) 1998-06-02 US disclosed
EP-0632016-B1 1,2-Diacylated hydrazine derivatives and their use as cell adhesion inhibitors ZENECA LTD (GB) 1997-04-09 EP disclosed
US-5612373-A ANTICOAGULANTS ZENECA LIMITED (GB) 1997-03-18 US disclosed
WO-1995000472-A1 1,2 DIACYLATED HYDRAZINE DERIVATIVES AND THEIR USE AS ALL ADHESION INHIBITORS ZENECA LIMITED (GB) 1995-01-05 WO disclosed
EP-0632016-A1 1,2-Diacylated hydrazine derivatives and their use as cell adhesion inhibitors ZENECA LIMITED (GB) 1995-01-04 EP disclosed