SCHEMBL4917708

SCHEMBL4917708

CCCCC(CC)CN(CCN)CCNCCNCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOA P21397 1/20 0.37
TLR2 O60603 2/20 0.36
SIGMAR1 Q99720 5/20 0.36
TMEM97 Q5BJF2 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27732462 0.86 ALDH1A1 (0.40) TDP1KDM4EALDH1A1SIGMAR1MAPT
SCHEMBL4908764 0.80 ALDH1A1 (0.50) TDP1KDM4EALDH1A1
SCHEMBL4914942 0.80 ALDH1A1 (0.50) TDP1KDM4EALDH1A1
SCHEMBL4917701 0.79 ALDH1A1 (0.56) MEN1KMT2ATDP1CHRM2KDM4E
SCHEMBL27892750 0.78 ALDH1A1 (0.46) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL4913060 0.77 ALDH1A1 (0.53) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL27892763 0.77 ALDH1A1 (0.47) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL9452835 0.76 MEN1 (0.57) MEN1KMT2ATDP1CHRM2MAOA
SCHEMBL9452851 0.76 MEN1 (0.57) MEN1KMT2ATDP1CHRM2MAOA
SCHEMBL4913834 0.76 MEN1 (0.53) MEN1KMT2ATDP1CHRM2MAOA

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-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
US-12435177-B2 Aqueous polyurethane resin composition and coating material using the composition COVESTRO DEUTSCHLAND AG (DE) 2025-10-07 US disclosed
EP-4435029-A1 A TRANSPARENT PUD AND ITS APPLICATION Covestro Deutschland AG (DE) 2024-09-25 EP disclosed
US-20230048853-A1 AQUEOUS POLYURETHANE RESIN COMPOSITION AND COATING MATERIAL USING THE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2023-02-16 US disclosed
EP-3851468-A1 AQUEOUS POLYURETHANE RESIN COMPOSITION AND COATING MATERIAL USING THE COMPOSITION Covestro Intellectual Property GmbH & Co. KG (DE) 2021-07-21 EP disclosed
WO-2021136727-A1 AQUEOUS POLYURETHANE RESIN COMPOSITION AND COATING MATERIAL USING THE COMPOSITION COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-07-08 WO disclosed
US-20150353768-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND USE THEREOF UBE INDUSTRIES, LTD. (JP) 2015-12-10 US disclosed
EP-2940052-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND USE OF SAME UBE Industries, Ltd. (JP) 2015-11-04 EP disclosed
US-9169420-B2 Aqueous polyurethane resin dispersion and coating composition comprising the same UBE INDUSTRIES, LTD. (JP) 2015-10-27 US disclosed
US-20140088246-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND COATING COMPOSITION COMPRISING THE SAME UBE INDUSTRIES, LTD. (JP) 2014-03-27 US disclosed