SCHEMBL8922733

SCHEMBL8922733

COC(=O)c1c(Cl)cc(Cl)cc1NC(=S)C(C)C1COc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.42
MALT1 Q9UDY8 3/20 0.41
MAOB P27338 3/20 0.39
ACLY P53396 1/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL8922095 0.84 MAPT (0.35) LMNAPOLBMAPTTP53
SCHEMBL8921928 0.83 ALDH1A1 (0.45) LMNAPOLBMAPTHTTTSHR
SCHEMBL8922762 0.80 MALT1 (0.48) LMNAPOLBMAPTMALT1MAOB
SCHEMBL8922729 0.75 MALT1 (0.49) LMNAPOLBMAPTMALT1MAOB
SCHEMBL8922106 0.67 MCHR1 (0.35) POLBMAPTTP53
SCHEMBL3861313 0.66 L3MBTL1 (0.48) LMNAPOLBMAPTHTT
SCHEMBL7439824 0.64 TP53 (0.47) MAOBTP53
SCHEMBL8922100 0.62 KMT2A (0.38) LMNAPOLBMAPT
SCHEMBL2741659 0.62 NISCH (0.42) MAOBTP53
SCHEMBL8921377 0.62 ALDH1A1 (0.46) LMNAMAPT

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed