SCHEMBL7662974

SCHEMBL7662974

COc1ccccc1C=CCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.56
TRPA1 O75762 1/20 0.56
TFEB P19484 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
CYP1A1 P04798 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP1B1 Q16678 3/20 0.51
GRIK1 P39086 1/20 0.50
GRIK2 Q13002 1/20 0.50
GRIK3 Q13003 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP19A1 P11511 1/20 0.50
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49

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
SCHEMBL7662971 1.00 NFE2L2 (0.56) NFE2L2TRPA1TFEBKDM4EALDH1A1
SCHEMBL30678623 0.86 NFE2L2 (0.62) NFE2L2TRPA1TFEBKDM4EALDH1A1
SCHEMBL29805387 0.86 NFE2L2 (0.62) NFE2L2TRPA1TFEBKDM4EALDH1A1
SCHEMBL5085210 0.82 NFE2L2 (0.58) NFE2L2TRPA1TFEBKDM4EALDH1A1
SCHEMBL29372144 0.82 NFE2L2 (0.58) NFE2L2TRPA1TFEBKDM4EALDH1A1
SCHEMBL257125 0.82 NFE2L2 (0.58) NFE2L2TRPA1TFEBKDM4EALDH1A1
SCHEMBL14640149 0.81 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2SMN1; SMN2NPC1
SCHEMBL1603719 0.81 NFE2L2 (0.79) NFE2L2TRPA1TFEBKDM4EALDH1A1
SCHEMBL7915752 0.81 NFE2L2 (0.79) NFE2L2TRPA1TFEBKDM4EALDH1A1
SCHEMBL4019329 0.81 NFE2L2 (0.79) NFE2L2TRPA1TFEBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101346345-B Method for producing primary amine compound SUMITOMO CO LTD 2012-06-20 CN disclosed
CN-101346345-A Method for producing primary amine compound SUMITOMO CHEMICAL CO (JP) 2009-01-14 CN disclosed
US-6350762-B1 SELECTIVELY INHIBIT THE ACTION OF N-TYPE CALCIUM CHANNEL; AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
CN-1283187-A Novel dipydropyridine derivative AJINOMOTO KK (JP) 2001-02-07 CN disclosed
EP-1043314-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-10-11 EP disclosed