SCHEMBL8922729

SCHEMBL8922729

COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CSCC1COc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.49
ACLY P53396 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
MAOB P27338 2/20 0.38
HDAC1 Q13547 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
P2RX7 Q99572 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
SCHEMBL8922100 0.85 KMT2A (0.38) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL8922762 0.82 MALT1 (0.48) MALT1ACLYLMNAPOLBMAPT
SCHEMBL8922733 0.75 LMNA (0.42) MALT1ACLYLMNAPOLBMAPT
SCHEMBL8921188 0.72 KMT2A (0.46) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL8921372 0.71 RAB9A (0.46) LMNAMAPTMEN1KMT2AHTT
SCHEMBL7456883 0.71 ALDH1A1 (0.53) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL7453231 0.70 SMN1; SMN2 (0.47) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL7458969 0.69 MAPT (0.49) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL7462906 0.68 MAPT (0.51) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL8921973 0.68 KMT2A (0.39) LMNAMAPTMEN1KMT2AHTT

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