SCHEMBL7572209

SCHEMBL7572209

CC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CC#CI

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.60
ELANE P08246 2/20 0.37
MGLL Q99685 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7572015 0.88 SMO (0.45) SMO
SCHEMBL7571369 0.86 SMO (0.44) SMOMGLLMAPT
SCHEMBL29386718 0.75 SMO (1.00) SMO
SCHEMBL19707552 0.75 SMO (0.61) SMOELANEMGLLTP53POLB
SCHEMBL8997583 0.70 SMO (0.47) SMO
SCHEMBL10748932 0.67 TP53 (0.33) TP53POLB
SCHEMBL10750009 0.66 GAA (0.45)
SCHEMBL11813976 0.66 SMO (0.51) SMOELANEMGLLTP53POLB
SCHEMBL10930161 0.65 SMO (0.50) SMOMAPT
SCHEMBL10747999 0.64 KCNA5 (0.36) SMOTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed
CN-1244770-A Fungicidal compositions based on (N-phenylacetyl-N-2,6-xylyl) alaninate ISAGRO SPA (IT) 2000-02-16 CN claimed
EP-0572191-B1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM & HAAS (US) 1996-09-04 EP claimed
EP-0572191-A1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM AND HAAS COMPANY (US) 1993-12-01 EP claimed
CN-1225972-C Fungicidal compositions based on (N-phenylacetyl-N-2,6-xylyl) alaninate ISAGRO SPA (IT) 2005-11-09 CN disclosed
CN-1244770-A Fungicidal compositions based on (N-phenylacetyl-N-2,6-xylyl) alaninate ISAGRO SPA (IT) 2000-02-16 CN disclosed
US-6008244-A APPLYING ONTO OR INTO THE MARINE STRUCTURE TO INHIBIT GROWTH SUCH AS SOFT CORALS, TUNICATES, HYDROIDS, SPONGES, ANEMONES, BARNACLES, TUBEWORMS AND MOLLUSCS ROHM AND HAAS COMPANY (US) 1999-12-28 US disclosed
CN-1180477-A Halopropargyl compounds as marine antifouling agents ROHM & HAAS (US) 1998-05-06 CN disclosed
EP-0835604-A1 Halopropargyl compounds as marine antifouling agents ROHM AND HAAS COMPANY (US) 1998-04-15 EP disclosed
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