SCHEMBL8442425

SCHEMBL8442425

CC1(C)C(=O)N(CC#CI)C(=O)N1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.45
HTR1A P08908 6/20 0.43
HTR7 P34969 6/20 0.43
HTR6 P50406 6/20 0.43
NPSR1 Q6W5P4 2/20 0.41
CTSG P08311 2/20 0.40
PRTN3 P24158 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TAS2R8 Q9NYW2 1/20 0.38
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8444410 0.89 ELANE (0.49) ELANEHTR1AHTR7HTR6NPSR1
SCHEMBL8997644 0.83 ELANE (0.47) ELANEHTR1AHTR7HTR6NPSR1
SCHEMBL19923520 0.82 ELANE (0.61) ELANEHTR1AHTR7HTR6NPSR1
SCHEMBL8445574 0.81 RAB9A (0.35)
SCHEMBL8997581 0.75 ELANE (0.51) ELANEHTR1AHTR7HTR6NPSR1
SCHEMBL7449650 0.73 CMA1 (0.56) ELANEHTR1AHTR7HTR6NPSR1
SCHEMBL9357173 0.72 ELANE (0.50) ELANEHTR1AHTR7HTR6NPSR1
SCHEMBL19923521 0.70 ELANE (0.47) ELANEHTR1AHTR7HTR6NPSR1
SCHEMBL19923557 0.68 ELANE (0.45) ELANEHTR1AHTR7HTR6NPSR1
SCHEMBL8445120 0.68 RAB9A (0.36) SMN1; SMN2GAA

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 9 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 claimed
US-5346913-A Agricultural fungicides ROHM AND HAAS COMPANY (US) 1994-09-13 US 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
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