SCHEMBL9519219

SCHEMBL9519219

O=C1c2ccccc2C(=O)N1CCCc1cccc2ccncc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
TNF P01375 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3242823 0.76 MAPT (0.57) GAAMAPTTDP1KMT2AMEN1
SCHEMBL1677739 0.73 TDP1 (0.66) TDP1ALDH1A1
SCHEMBL6114803 0.73 TNF (0.44) TDP1HTTTNFLMNAALDH1A1
SCHEMBL9519383 0.73 TNF (0.47) GAAMAPTTNFLMNAALDH1A1
SCHEMBL9522345 0.73 CYP2A6 (0.46) KMT2ATNFMEN1LMNATP53
SCHEMBL10577053 0.72 KCNA3 (0.60) MAPK1MAPTTDP1ALDH1A1
SCHEMBL4651550 0.72 KMT2A (0.63) MAPK1GAATDP1KMT2AHTT
SCHEMBL21178923 0.72 TNF (0.42) TNFLMNAALDH1A1
SCHEMBL6115311 0.72 TDP1 (0.47) TDP1TNF
SCHEMBL6288224 0.71 HSD17B10 (0.57) MAPK1GAAMAPTTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 US disclosed