SCHEMBL4614142

SCHEMBL4614142

NCCCN1CN(CCCN)CN(CCCN)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIGMAR1 Q99720 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
DNM1 Q05193 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL332031 0.85 KEAP1 (0.46) KEAP1SMN1; SMN2SIGMAR1ALOX15CYP2D6
SCHEMBL15336923 0.81 KEAP1 (0.39) KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL1616800 0.80
SCHEMBL101501 0.80 KEAP1 (0.67) KEAP1SMN1; SMN2SIGMAR1ALOX15CYP2D6
Hydrochloric Acid SCHEMBL3673979 0.78 KEAP1 (0.64) KEAP1SMN1; SMN2SIGMAR1ALOX15CYP2D6
SCHEMBL15329386 0.78 KEAP1 (0.64) KEAP1SMN1; SMN2SIGMAR1ALOX15CYP2D6
SCHEMBL4801737 0.77 KEAP1 (0.40) KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL13876470 0.75 SMN1; SMN2 (0.61) KEAP1SMN1; SMN2SIGMAR1ALOX15CYP2D6
SCHEMBL4559690 0.75 ALOX15 (0.77) KEAP1SMN1; SMN2SIGMAR1ALOX15CYP2D6
SCHEMBL291327 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7082335-A None JP disclosed
US-11046872-B2 Two-component hot melt adhesive, solidified product, and method for controlling cross-linking time TOYOTA BOSHOKU KABUSHIKI KAISHA (JP) 2021-06-29 US disclosed
US-20200172772-A1 TWO-COMPONENT HOT MELT ADHESIVE, SOLIDIFIED PRODUCT, AND METHOD FOR CONTROLLING CROSS-LINKING TIME TOYOTA BOSHOKU KABUSHIKI KAISHA (JP) 2020-06-04 US disclosed
CN-107148434-A Low emission polyurethane foams made with isocyanate-reactive amine crystals 赢创德固赛有限公司 2017-09-08 CN disclosed
CN-106810661-A There is the delayed action catalyst of the polyurethane system stability containing halogen foaming agent for improving 气体产品与化学公司 2017-06-09 CN disclosed
EP-1742978-B1 METHOD FOR THE PRODUCTION OF POLYURETHANE FOAM MATERIALS BASF SE (DE) 2008-10-29 EP disclosed
US-20070254973-A1 Method for the Production of Polyurethane Foam Materials BASF AKTIENGESELLSCHAFT (DE) 2007-11-01 US disclosed
US-20060058409-A1 Method for producing rigid polyurethane foams by means of graft polyhydric alcohols BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 US disclosed
JP-H0782335-A CATALYST FOR PRODUCTION OF RIGID POLYURETHANE FOAM TOSOH CORP 1995-03-28 JP disclosed
JP-H00782335-A 0001-01-01 JP disclosed