SCHEMBL677537

SCHEMBL677537

O=C(Nc1ccccc1)OCC#CI

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
RECQL P46063 2/20 0.50
BLM P54132 2/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
Phenol SCHEMBL28476395 0.94 KMT2A (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL560447 0.86 NPC1 (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7565469 0.84 CHRM2 (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9266421 0.84 HDAC3 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11113005 0.83 KMT2A (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7567755 0.82 KMT2A (0.53) KMT2AMEN1TSHRRECQLBLM
SCHEMBL957920 0.82 MEN1 (0.76) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9184453 0.81 SMN1; SMN2 (0.51) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9180451 0.80 MTNR1B (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6402493 0.79 MEN1 (0.71) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 435 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4176721-B1 BIOCIDAL POLYMER BLENDS LANXESS DEUTSCHLAND GMBH (DE) 2026-01-07 EP claimed
EP-2413697-B1 STABILISATION OF COMPOUNDS CONTAINING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-08 EP claimed
US-20170215421-A1 BIOCIDE AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2017-08-03 US claimed
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP claimed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US claimed
US-20160360753-A1 BIOCIDIC MICROCAPSULES LANXESS DEUTSCHLAND GMBH (DE) 2016-12-15 US claimed
CN-104220505-B Fungicide formulations for plasticized PVC LANXESS DEUTSCHLAND GMBH (DE) 2016-06-01 CN claimed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9296878-B2 Fungicide formulations for plasticized PVC LANXESS DEUTSCHLAND GMBH (DE) 2016-03-29 US claimed
WO-1998018756-A1 AQUEOUS SYNTHESIS OF IODOPROPARGYL CARBAMATE TROY CORPORATION (US) 1998-05-07 WO claimed
EP-0831706-A1 METHOD OF STABILIZING BIOCIDAL COMPOSITIONS OF HALOALKYNYL COMPOUNDS TROY CHEMICAL CORPORATION (US) 1998-04-01 EP claimed
US-5693849-A Aqueous synthesis of iodopropargyl carbamate TROY CORPORATION (US) 1997-12-02 US claimed
WO-1996039836-A1 METHOD OF STABILIZING BIOCIDAL COMPOSITIONS OF HALOALKYNYL COMPOUNDS TROY CHEMICAL COMPANY (US) 1996-12-19 WO claimed
EP-0438857-B1 Biocidal compositions TROY CHEMICAL CORP (US) 1994-05-04 EP claimed
EP-0370665-B1 Wood preservative and soil treatment composition TROY CHEMICAL CORP (US) 1994-03-30 EP claimed
US-5071479-A Synergistic mixture of iodoalkyk carbamate and tributyltin compound; marine antifouling agent TROY CHEMICAL CORPORATION (US) 1991-12-10 US claimed
EP-0438857-A1 Biocidal compositions TROY CHEMICAL CORPORATION (US) 1991-07-31 EP claimed
EP-0370665-A2 Wood preservative and soil treatment composition TROY CHEMICAL CORPORATION (US) 1990-05-30 EP claimed
EP-0258030-A2 A fungicidal composition containing an iodopropargyl carbamate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-02 EP claimed