SCHEMBL8539408

SCHEMBL8539408

COC(=O)CCc1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 1/20 0.46
BRD4 O60885 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CES1 P23141 1/20 0.43
OGT O15294 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL8539179 0.90 POLB (0.47) MAPTGAAESR1MEN1KMT2A
SCHEMBL8544817 0.89 GAA (0.53) MAPTGAAESR1BRD4MEN1
SCHEMBL8539413 0.78 HTR6 (0.56) MEN1KMT2AKDM4E
SCHEMBL3367245 0.77 IDO1 (0.59) MAPTMEN1KMT2ACES1ALDH1A1
SCHEMBL6257664 0.74 ESR1 (0.52) MAPTSMN1; SMN2ESR1MEN1KMT2A
SCHEMBL14018691 0.74 MAPT (0.59) MAPTGAAESR1BRD4MEN1
SCHEMBL14044801 0.73 MAPT (0.55) MAPTGAAESR1BRD4MEN1
SCHEMBL852679 0.73 BACE1 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EEGFR
SCHEMBL8539417 0.73 HTR6 (0.52) MAPTTP53ALDH1A1HPGD
SCHEMBL8172861 0.73 MAPT (0.62) MAPTSMN1; SMN2MEN1KMT2ALMNA

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
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed