SCHEMBL5748892

SCHEMBL5748892

O=Cc1cccc2ccc[c]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.41
ERN1 O75460 4/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
TSHR P16473 1/20 0.35
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL7793839 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5750689 0.73 TRIM24 (0.39) LMNAKMT2AMEN1THRBBLM
SCHEMBL294732 0.72
SCHEMBL294731 0.72
SCHEMBL1587165 0.71 ALDH1A1 (0.35) TDP1CYP2A6ALDH1A1HPGDTSHR
SCHEMBL5748185 0.71 CYP2A6 (0.35) LMNAKMT2AMEN1THRBBLM
SCHEMBL5748315 0.71 CYP2A6 (0.35) LMNAKMT2AMEN1THRBBLM
SCHEMBL6482087 0.70 ALDH1A1 (0.36) ALDH1A1HPGDTSHR
SCHEMBL15068163 0.70
SCHEMBL4456247 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100504547-C LCD device FUJI PHOTO FILM CO LTD (JP) 2009-06-24 CN disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed