SCHEMBL8922762

SCHEMBL8922762

COC(=O)c1c(Cl)cc(Cl)cc1NC(=S)CCC1COc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.48
ACLY P53396 1/20 0.47
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
MTNR1A P48039 2/20 0.40
MAOB P27338 2/20 0.39
HDAC1 Q13547 1/20 0.38
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL8922106 0.85 MCHR1 (0.35) POLBMAPTMTNR1ATP53
SCHEMBL8922729 0.82 MALT1 (0.49) MALT1ACLYLMNAPOLBMAPT
SCHEMBL8922733 0.80 LMNA (0.42) MALT1ACLYLMNAPOLBMAPT
SCHEMBL8921928 0.72 ALDH1A1 (0.45) LMNAPOLBMAPTHTTTSHR
SCHEMBL8921195 0.72 MAPT (0.48) ACLYMAPTHTT
SCHEMBL8921377 0.72 ALDH1A1 (0.46) LMNAMAPT
SCHEMBL8923394 0.69 MEN1 (0.41) LMNAPOLBMAPTHTTTSHR
SCHEMBL8922100 0.68 KMT2A (0.38) LMNAPOLBMAPTMTNR1A
SCHEMBL8922095 0.67 MAPT (0.35) LMNAPOLBMAPTMTNR1ATP53
SCHEMBL8922395 0.67 CYP4A11 (0.47) ACLYLMNAMAPTHTTTP53

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