SCHEMBL8997575

SCHEMBL8997575

C#CCNC(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 2/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
BIRC2 Q13490 1/20 0.31

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
Hydrochloric Acid SCHEMBL6626255 0.98 CA14 (0.42) CA14SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL31265513 0.83 MGAM (0.38) L3MBTL1
SCHEMBL20337207 0.80
SCHEMBL20337248 0.80
SCHEMBL2221926 0.77 MAPT (0.38) CA14SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL7235467 0.77
SCHEMBL7235464 0.77
SCHEMBL600487 0.77
Hydrochloric Acid SCHEMBL31105856 0.76 CYP1A2 (0.37) TSHRACHECYP1A2CYP3A4CYP2D6
SCHEMBL706892 0.75

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-0572191-B1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM & HAAS (US) 1996-09-04 EP disclosed
US-5346913-A Agricultural fungicides ROHM AND HAAS COMPANY (US) 1994-09-13 US disclosed
EP-0572191-A1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM AND HAAS COMPANY (US) 1993-12-01 EP disclosed
US-4753957-A Substituted 2,4-imidazolidinediones and fungicidal compositions ROHM AND HAAS COMPANY (US) 1988-06-28 US disclosed
EP-0018549-B1 TETRAHYDROISOQUINOLINE COMPOUNDS, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Tanabe Seiyaku Co., Ltd. (JP) 1981-12-30 EP disclosed
US-4294832-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1981-10-13 US disclosed
EP-0018549-A2 Tetrahydroisoquinoline compounds, process for preparing them and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-11-12 EP disclosed