SCHEMBL6587314

SCHEMBL6587314

CCOC(=O)CCC(C)Sc1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 3/20 0.53
NSD2 O96028 1/20 0.53
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 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
SCHEMBL7865466 0.92 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL29888697 0.84 SMN1; SMN2 (0.71) MAPTSMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL10760227 0.80 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL5266012 0.80 NPSR1 (0.69) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL10760234 0.80 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL11108446 0.79 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1KDM4ELMNAPOLB
SCHEMBL944312 0.79 POLB (0.72) MAPTSMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL9431194 0.79 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL10761379 0.78 POLB (0.53) MAPTSMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL7867868 0.78 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA

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
US-6815455-B1 ANTIFOAM AGENTS OF MACROPHAGES; PREVENTING ARTERIOSCLEROSIS FUJI PHOTO FILM CO., LTD. (JP) 2004-11-09 US disclosed
EP-1197487-B1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2004-01-14 EP disclosed
EP-1197487-A1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME Fuji Photo Film Co., Ltd. (JP) 2002-04-17 EP disclosed