SCHEMBL7863952

SCHEMBL7863952

CCCCCCCCCCCNc1cc[c]cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
KCNH3 Q9ULD8 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
PRSS1 P07477 4/20 0.39
F2 P00734 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
ADRA2A P08913 1/20 0.38
S1PR2 O95136 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLK1 P53350 3/20 0.38
EPHX1 P07099 2/20 0.38
GPR84 Q9NQS5 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7847730 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL11242312 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL222543 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL2874812 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL220260 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL10769826 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL5543069 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL7864090 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL2059888 1.00 ABL1 (0.47) ABL1KCNH3ALDH1A1MAPTPRSS1
SCHEMBL1414747 0.98 ABL1 (0.45) ABL1KCNH3ALDH1A1MAPTPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed