SCHEMBL9026632

SCHEMBL9026632

CC(=O)OC(CBr)CCCCCCCCCCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 11/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 5/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ PTPN7 P35236 1/20 0.38

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
SCHEMBL8802202 1.00 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9027396 1.00 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9027705 1.00 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8077168 1.00 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8803624 1.00 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9026833 1.00 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9027815 0.99 MAPT (0.44) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9027534 0.97 MAPT (0.46) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9027881 0.92 MAPT (0.47) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL7594917 0.85 MAPT (0.44) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1

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-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 — — EP disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 — — EP disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
Send feedback