SCHEMBL1780083

SCHEMBL1780083

CCN1CN(CC)c2ccccc21.I[IH]I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.36
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
BRD4 O60885 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GRIA2 P42262 1/20 0.33
USP2 O75604 1/20 0.32
CDK4 P11802 1/20 0.32
ALOX15 P16050 1/20 0.32
CCND1 P24385 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM1A O60341 1/20 0.32
CHRNA7 P36544 1/20 0.31
MGLL Q99685 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL927716 0.91 HSD17B3 (0.40) HSD17B3MEN1ALDH1A1KMT2ABRD4
Hydrochloric Acid SCHEMBL30935728 0.89 MEN1 (0.40) HSD17B3MEN1ALDH1A1KMT2ABRD4
Iodide SCHEMBL1780078 0.89 HSD17B3 (0.39) HSD17B3MEN1ALDH1A1KMT2ABRD4
Iodide SCHEMBL1780085 0.89 HSD17B3 (0.39) HSD17B3MEN1ALDH1A1KMT2ABRD4
Iodide SCHEMBL2821259 0.89 HSD17B3 (0.39) HSD17B3MEN1ALDH1A1KMT2ABRD4
SCHEMBL9330383 0.81 MEN1 (0.47) HSD17B3MEN1ALDH1A1KMT2AUSP2
Bromide SCHEMBL9328394 0.79 MEN1 (0.46) HSD17B3MEN1ALDH1A1KMT2AUSP2
SCHEMBL30463973 0.78 ALDH1A1 (0.42) HSD17B3MEN1ALDH1A1KMT2AMTNR1A
SCHEMBL3457356 0.78 ALDH1A1 (0.42) HSD17B3MEN1ALDH1A1KMT2AMTNR1A
SCHEMBL8828811 0.78 MEN1 (0.34) HSD17B3MEN1ALDH1A1KMT2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377535-A1 METHOD AND COMPOSITION FOR TREATING MULTIPLE SCLEROSIS (VARIANTS) Averin, Konstantin Mihailovich (RU) 2011-10-19 EP claimed
US-20110118324-A1 METHOD AND COMPOSITION FOR TREATING MULTIPLE SCLEROSIS (VARIANTS) Stradomskiy, Boris Vitalyevich (RU) 2011-05-19 US claimed
US-20100286216-A1 COMPOSITION HAVING A HIGH OSMOTIC ACTIVITY AND EXHIBITING ANTIMICROBIAL, ANTI-INFLAMMATORY, AND REGENERATIVE EFFECTS Boris Vitalyevich STRADOMSKIY 2010-11-11 US claimed
CN-110198721-B Antibacterial composition containing polyvinylpyrrolidone and sodium dimercaptopropanesulfonate and application thereof 梅迪德创新研发有限公司 2022-06-07 CN disclosed
EP-3006020-B1 METHOD FOR TREATING RECURRING SKIN AND MUCOUS MEMBRANE DISEASES CAUSED BY HSV-1 AND HSV-2 TETS VIKTOR VENIAMINOVICH (RU) 2020-06-24 EP disclosed
EP-3006020-A1 METHOD FOR TREATING RECURRING SKIN AND MUCOUS MEMBRANE DISEASES CAUSED BY HSV-1 AND HSV-2 Tets, Viktor Veniaminovich (RU) 2016-04-13 EP disclosed
EP-2377535-A1 METHOD AND COMPOSITION FOR TREATING MULTIPLE SCLEROSIS (VARIANTS) Averin, Konstantin Mihailovich (RU) 2011-10-19 EP disclosed
EP-2377535-A1 METHOD AND COMPOSITION FOR TREATING MULTIPLE SCLEROSIS (VARIANTS) Averin, Konstantin Mihailovich (RU) 2011-10-19 EP disclosed
US-20110118324-A1 METHOD AND COMPOSITION FOR TREATING MULTIPLE SCLEROSIS (VARIANTS) Stradomskiy, Boris Vitalyevich (RU) 2011-05-19 US disclosed
US-20110118324-A1 METHOD AND COMPOSITION FOR TREATING MULTIPLE SCLEROSIS (VARIANTS) Stradomskiy, Boris Vitalyevich (RU) 2011-05-19 US disclosed
US-20100286216-A1 COMPOSITION HAVING A HIGH OSMOTIC ACTIVITY AND EXHIBITING ANTIMICROBIAL, ANTI-INFLAMMATORY, AND REGENERATIVE EFFECTS Boris Vitalyevich STRADOMSKIY 2010-11-11 US disclosed
US-20100286216-A1 COMPOSITION HAVING A HIGH OSMOTIC ACTIVITY AND EXHIBITING ANTIMICROBIAL, ANTI-INFLAMMATORY, AND REGENERATIVE EFFECTS Boris Vitalyevich STRADOMSKIY 2010-11-11 US disclosed
WO-2010082863-A1 METHOD AND COMPOSITION FOR TREATING MULTIPLE SCLEROSIS (VARIANTS) АВЕРИН, Константин Михайлович (RU) 2010-07-22 WO disclosed
WO-2009084975-A8 COMPOSITION EXHIBITING HIGH OSMOTIC ANTIMICROBIAL, ANTI-INFLAMMATORY AND REGENERATION ACTIVITY АВЕРИН, Константин Михайлович (RU) 2009-10-22 WO disclosed
WO-2009084975-A1 COMPOSITION EXHIBITING HIGH OSMOTIC ANTIMICROBIAL, ANTI-INFLAMMATORY AND REGENERATION ACTIVITY AVERIN, KONSTANTIN MIHAILOVICH (RU) 2009-07-09 WO disclosed
WO-2005110002-A3 ANTI-INFLAMMATORY AND ANTICEPTIC SUPPOSITORY EXHIBITING A REGENERATION EFFECT AVERIN KONSTANTIN MIHAILOVICH (RU) 2006-01-26 WO disclosed
WO-2005110002-A2 ANTI-INFLAMMATORY AND ANTICEPTIC SUPPOSITORY EXHIBITING A REGENERATION EFFECT AVERIN, KONSTANTIN MIHAILOVICH (RU) 2005-11-24 WO disclosed