SCHEMBL10925713

SCHEMBL10925713

COc1c([O])ccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
GAA P10253 2/20 0.33
TPMT P51580 1/20 0.32

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
SCHEMBL2355429 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL29536407 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL8990966 0.74 HTR2A (0.43) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL21567219 0.74 L3MBTL1 (0.41) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL8912546 0.73 L3MBTL1 (0.44) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL5992537 0.73 CYP3A4 (0.52) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL17797225 0.73 L3MBTL1 (0.40) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL11144274 0.73 L3MBTL1 (0.40) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL2094513 0.73 KDM4E (0.44) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL30126262 0.73 TUBB4A (0.42) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064256-B1 CEPHALOSPORIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-12 EP disclosed