SCHEMBL9017611

SCHEMBL9017611

CCC(CC)(Nc1cccc(Cl)c1C(N)=O)C(I)I

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
CXCL8 P10145 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPK10 P53779 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FEN1 P39748 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL8735188 0.81 POLB (0.46) POLBLMNACXCL8MAPTKDM4E
SCHEMBL8733043 0.81 POLB (0.46) POLBLMNACXCL8MAPTKDM4E
SCHEMBL8732664 0.75 CXCL8 (0.45) POLBLMNACXCL8MAPTKDM4E
SCHEMBL7748934 0.72 ALDH1A1 (0.46) POLBLMNACXCL8MAPTKDM4E
SCHEMBL320037 0.67 ALDH1A1 (0.61) POLBLMNAMAPTALDH1A1TSHR
SCHEMBL8730866 0.67 POLB (0.44) POLBLMNAKDM4EALDH1A1TSHR
SCHEMBL11455527 0.67 GPR35 (0.68) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10487935 0.67 HTT (0.54) POLBLMNAMAPTKDM4EALDH1A1
SCHEMBL29008206 0.65 ALDH1A1 (0.58) POLBLMNAMAPTALDH1A1TSHR
SCHEMBL22777068 0.65 CXCR2 (0.55) POLBLMNAMAPTKDM4EALDH1A1

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-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP disclosed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO disclosed