SCHEMBL7571369

SCHEMBL7571369

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.44
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL7572209 0.86 SMO (0.60) SMOMAPTMGLL
SCHEMBL7572015 0.80 SMO (0.45) SMO
SCHEMBL19707997 0.59 ELANE (0.46) SMO
SCHEMBL8312797 0.59 ALDH1A1 (0.56) CACNA1BAPBA1MAPTKMT2A
SCHEMBL19707552 0.59 SMO (0.61) SMOKMT2AMGLL
SCHEMBL19708120 0.59 FAAH (0.46) SMOALOX15KMT2AMGLL
SCHEMBL19707626 0.59 MGLL (0.60) ALOX15CACNA1BAPBA1MAPTKMT2A
SCHEMBL12154421 0.58 SMO (0.40) SMO
SCHEMBL21657700 0.58 MGLL (0.48) ALOX15CACNA1BAPBA1MAPTKMT2A
SCHEMBL19923522 0.58 SMO (0.53) SMOCACNA1BAPBA1KMT2AMGLL

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 12 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
EP-0572191-A1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM AND HAAS COMPANY (US) 1993-12-01 EP disclosed