SCHEMBL8328337

SCHEMBL8328337

COC(=O)CCCc1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 3/20 0.68
MAPT P10636 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
HSD17B10 Q99714 2/20 0.68
HPGD P15428 1/20 0.62
POLB P06746 1/20 0.62
CHRM1 P11229 1/20 0.61
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.59

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
SCHEMBL20561440 0.92 MAPT (0.75) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL22470213 0.90 CACNA1G (0.60) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL22470286 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL1232898 0.86 LMNA (0.71) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL7211361 0.86 POLB (0.62) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL9212097 0.86 POLB (0.62) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL5487156 0.84 POLB (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL8329251 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL29040013 0.83 PARP1 (0.65) KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL5395748 0.83 MAPT (0.83) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10

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-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed