SCHEMBL6962582

SCHEMBL6962582

O=S(=O)(N1CCCCC1)N1CC[N]CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
KMT2A Q03164 4/20 0.64
TSHR P16473 3/20 0.64
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 3/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL5280013 0.84 POLB (0.93) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL1546827 0.81 POLB (0.87) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL6950409 0.76 CA12 (0.73) POLBKMT2ATSHRALDH1A1MEN1
SCHEMBL5314300 0.74 KMT2A (0.81) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL2919098 0.71 LMNA (0.37) POLBKMT2ATSHRALDH1A1MEN1
SCHEMBL666285 0.70 CA1 (0.52) CA1CA2
SCHEMBL9028142 0.70 POLB (0.67) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL3176249 0.70 KDM4E (1.00) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL2103195 0.70 EPHX2 (0.46) POLBKMT2ATSHRCA1CA2
SCHEMBL5197 0.69 LMNA (0.42) KMT2ATSHRKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP claimed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US claimed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP claimed
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP disclosed
US-6022971-A Azetidines PFIZER INC (US) 2000-02-08 US disclosed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US disclosed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP disclosed