SCHEMBL8207597

SCHEMBL8207597

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
REV1 Q9UBZ9 1/20 0.42
PDE5A O76074 4/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
ROCK2 O75116 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7421194 0.93 LMNA (0.45) LMNAHPGDGAAREV1PDE5A
SCHEMBL8207861 0.92 LMNA (0.46) LMNAHPGDGAAPDE5ANPC1
SCHEMBL8206305 0.92 NPC1 (0.48) LMNAGAAREV1NPC1PKM
Bicarbonate SCHEMBL7421198 0.90 TSHR (0.44) LMNAHPGDGAAREV1PDE5A
SCHEMBL8199034 0.90 GAA (0.50) LMNAHPGDGAAREV1PDE5A
SCHEMBL8207774 0.85 LMNA (0.47) LMNAHPGDNPC1PKMRAB9A
SCHEMBL7889431 0.85 LMNA (0.46) LMNAHPGDGAAPDE5ANPC1
SCHEMBL7886925 0.84 POLB (0.52) LMNAREV1NPC1PKMRAB9A
SCHEMBL8206616 0.84 GAA (0.49) LMNAHPGDGAAREV1PDE5A
SCHEMBL8250085 0.84 REV1 (0.45) LMNAGAAREV1KMT2APOLB

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