SCHEMBL11084231

SCHEMBL11084231

CN(C)CCn1nnnc1SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(N)[C@@H]2SC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.53
TDP1 Q9NUW8 5/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
PPARG P37231 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
SLC22A11 Q9NSA0 1/20 0.50
SLC6A4 P31645 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
APEX1 P27695 1/20 0.48
PTPN7 P35236 1/20 0.48
CMA1 P23946 10/20 0.45

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
SCHEMBL11136064 0.92 SLC6A4 (0.52) HSD17B10TDP1LMNAL3MBTL1NR1I2
SCHEMBL6051485 0.89 NR1I2 (0.62) HSD17B10TDP1NR1I2PGRPPARG
SCHEMBL9076452 0.89 NR1I2 (0.62) HSD17B10TDP1NR1I2PGRPPARG
SCHEMBL6051490 0.89 NR1I2 (0.62) HSD17B10TDP1NR1I2PGRPPARG
SCHEMBL9076453 0.89 NR1I2 (0.62) HSD17B10TDP1NR1I2PGRPPARG
SCHEMBL11842307 0.89 NR1I2 (0.62) HSD17B10TDP1NR1I2PGRPPARG
SCHEMBL11135000 0.89 NR1I2 (0.51) HSD17B10TDP1LMNAL3MBTL1NR1I2
SCHEMBL11225158 0.88 SLC6A4 (0.50) HSD17B10TDP1LMNAL3MBTL1NR1I2
SCHEMBL11225159 0.88 SLC6A4 (0.50) HSD17B10TDP1LMNAL3MBTL1NR1I2
SCHEMBL9375027 0.88 SLC6A4 (0.51) HSD17B10TDP1LMNANR1I2PGR

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
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed