SCHEMBL9417434

SCHEMBL9417434

NCCNN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
KEAP1 Q14145 1/20 0.41
KDM1A O60341 1/20 0.40
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ACE2 Q9BYF1 1/20 0.33
KDM4E B2RXH2 3/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
DUSP3 P51452 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL23067998 0.82
SCHEMBL2336421 0.82 ACE2 (0.40) CA12CA1CA2CA9ACE2
SCHEMBL21169723 0.78 KDM1A (0.41) SMN1; SMN2KDM1ACA12CA1CA2
SCHEMBL1958727 0.76 KDM1A (0.40) SMN1; SMN2KDM1ACA12CA1CA2
SCHEMBL2744386 0.76 KDM1A (0.40) SMN1; SMN2KDM1ACA12CA1CA2
SCHEMBL6505659 0.76 ALDH1A1 (0.41) SMN1; SMN2KDM1ACA12CA1CA2
SCHEMBL7004174 0.74 KDM1A (0.39) SMN1; SMN2KDM1ACA12CA1CA2
Hydrazine SCHEMBL8557171 0.74 HTT (0.46) SMN1; SMN2KEAP1KDM1ACA12CA1
SCHEMBL28793411 0.73 ACE2 (0.34) CA12CA9ACE2
SCHEMBL9126435 0.73 KDM1A (0.38) SMN1; SMN2KEAP1KDM1ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354172-B2 Process for encapsulating a water insoluble active AKZO NOBEL N.V. (NL) 2013-01-15 US claimed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
US-5373095-A Steroid compounds THE UPJOHN COMPANY (US) 1994-12-13 US disclosed
US-5334712-A Estrane or androstane pyridinyl alkyl or alkylphenyl amine steroids for antidiabetes and obesity THE UPJOHN COMPANY (US) 1994-08-02 US disclosed
US-5274089-A A estra-1,3,5(10)-triene derivative THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
US-5196542-A Phospholipase A2 inhibitors THE UPJOHN COMPANY (US) 1993-03-23 US disclosed
US-5187299-A Phospholipase inhibitors; treating diabetes, obesity THE UPJOHN COMPANY (US) 1993-02-16 US disclosed
US-5145874-A Phospholipase inhibitor, hypoglycemic agent, antidiabetic, obesity THE UPJOHN COMPANY (US) 1992-09-08 US disclosed
US-4917826-A TREATING DIABETES AND OBESITY THE UPJOHN COMPANY (US) 1990-04-17 US disclosed
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US disclosed