SCHEMBL9016972

SCHEMBL9016972

N#CCCN(CC=CCN(CCC#N)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 5/20 0.44
AR P10275 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 2/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
TK1 P04183 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
DRD3 P35462 1/20 0.37
CA4 P22748 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
SCHEMBL2934586 0.91 MEN1 (0.48) POLBGAAALDH1A1TSHRCYP2C19
SCHEMBL2934589 0.91 MEN1 (0.48) POLBGAAALDH1A1TSHRCYP2C19
SCHEMBL716384 0.87 ALDH1A1 (0.52) POLBGAAALDH1A1ARCYP3A4
SCHEMBL151627 0.87 ALDH1A1 (0.52) POLBGAAALDH1A1ARCYP3A4
SCHEMBL3914600 0.83 ALDH1A1 (0.41) POLBGAAALDH1A1ARLIMK1
SCHEMBL3914604 0.83 ALDH1A1 (0.41) POLBGAAALDH1A1ARLIMK1
SCHEMBL3520495 0.82 POLB (0.48) POLBGAAALDH1A1AR
SCHEMBL10962715 0.81 POLB (0.47) POLBGAAALDH1A1AR
SCHEMBL148920 0.81 MAOB (0.49) POLBGAAALDH1A1TSHRKCNH2
SCHEMBL712716 0.81 LCK (0.48) POLBGAAALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514333-A2 Substituted 1,4-diamino-2-butene stabilizers and stabilized compositions CIBA-GEIGY AG (CH) 1992-11-19 EP claimed
US-5492954-A STABILIZE LUBRICANTS AND SYNTHETIC POLYMERS AGAINST THE DELETERIOUS EFFECTS OF OXYGEN AND HEAT CIBA-GEIGY CORPORATION (US) 1996-02-20 US disclosed
US-5391808-A Lubricant and synthetic polymer additives for heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1995-02-21 US disclosed
EP-0585202-A1 N,N'-alkenylene amine/mercaptotolyl-imidazole blends as high temperature antioxidants for elastomers CIBA-GEIGY AG (CH) 1994-03-02 EP disclosed
US-5283367-A Antioxidants for lubricants and polymers CIBA-GEIGY CORPORATION (US) 1994-02-01 US disclosed
US-5240976-A For automobile, wire and cable uses CIBA-GEIGY CORPORATION (US) 1993-08-31 US disclosed
EP-0514333-A2 Substituted 1,4-diamino-2-butene stabilizers and stabilized compositions CIBA-GEIGY AG (CH) 1992-11-19 EP disclosed