SCHEMBL9744956

SCHEMBL9744956

C/C=C/Cn1cnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
CYP11B1 P15538 7/20 0.53
CYP11B2 P19099 7/20 0.53
TNF P01375 1/20 0.53
LMNA P02545 4/20 0.51
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
EGLN3 Q9H6Z9 1/20 0.51
MAPK1 P28482 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
APAF1 O14727 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9168674 1.00 TDP1 (0.59) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL7106613 0.86 TDP1 (0.63) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL9169178 0.85 TDP1 (0.58) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL5884248 0.83 TDP1 (0.59) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL9169925 0.82 TDP1 (0.54) TDP1CYP11B1CYP11B2TNFLMNA
Hydrogen Sulfide SCHEMBL29074168 0.81 TDP1 (0.58) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL2140382 0.79 TDP1 (0.63) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL326813 0.79 TDP1 (0.63) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL29958345 0.79 TDP1 (0.63) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL9745498 0.78 TDP1 (0.58) TDP1CYP11B1CYP11B2TNFLMNA

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
EP-0214600-B1 CEPHALOSPORIN DERIVATIVES Otsuka Kagaku Kabushiki Kaisha (JP) 1992-12-02 EP disclosed
US-4906623-A 3-Imidazolium cephalosporin derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-03-06 US disclosed
EP-0214600-A2 Cephalosporin derivatives Otsuka Kagaku Kabushiki Kaisha (JP) 1987-03-18 EP disclosed