SCHEMBL8207774

SCHEMBL8207774

COC(=O)C1CCC(C(=O)Nc2sc(Cl)cc2C(=O)NCc2ccc(OC)c(OC)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.45
APEX1 P27695 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8207861 0.94 LMNA (0.46) LMNANPC1PKMRAB9AKMT2A
SCHEMBL7881446 0.93 NPC1 (0.49) LMNANPC1PKMRAB9AKMT2A
Bicarbonate SCHEMBL7881448 0.90 KMT2A (0.46) LMNANPC1PKMRAB9AKMT2A
SCHEMBL8206305 0.90 NPC1 (0.48) LMNANPC1PKMRAB9AKMT2A
SCHEMBL8206662 0.89 GAA (0.53) LMNANPC1PKMRAB9AKMT2A
SCHEMBL8207562 0.87 ALDH1A1 (0.43) LMNARAB9AKMT2APOLBALDH1A1
SCHEMBL8207740 0.87 HPGD (0.42) LMNANPC1PKMRAB9AHPGD
SCHEMBL7889431 0.86 LMNA (0.46) LMNANPC1PKMRAB9AKMT2A
SCHEMBL8207597 0.85 LMNA (0.45) LMNANPC1PKMRAB9AKMT2A
SCHEMBL8199034 0.85 GAA (0.50) LMNANPC1PKMRAB9AKMT2A

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-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed