SCHEMBL9050971

SCHEMBL9050971

CCCNS(=O)(=O)[CH]Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.38
MAPK1 P28482 1/20 0.37
HTR1B P28222 2/20 0.37
HTR1D P28221 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36
PSEN1 P49768 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
SCHEMBL9050973 0.71 ALDH1A1 (0.48) CA12CA9ALDH1A1HPGDRECQL
SCHEMBL301798 0.67 ALDH1A1 (0.68) CA12CA9ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL7362553 0.66 ALDH1A1 (0.66) CA12CA9ALDH1A1TSHRMAPK1
SCHEMBL634317 0.66 ALDH1A1 (0.66) CA12CA9ALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL12481388 0.66 ALDH1A1 (0.66) CA12CA9ALDH1A1TSHRMAPK1
SCHEMBL28141867 0.64 ALDH1A1 (0.49) CA12CA9ALDH1A1TSHRHPGD
SCHEMBL652685 0.63 LTA4H (0.47) ALDH1A1HTTZDHHC2MAPK1LMNA
Formic Acid Phenyl Ester SCHEMBL28329438 0.63 LTA4H (0.48) ALDH1A1TSHRHTTZDHHC2MAPK1
SCHEMBL19785139 0.63 CA12 (0.74) CA12CA9HTTMEN1KMT2A
SCHEMBL9142888 0.63 MEN1 (0.79) ALDH1A1RECQLHTTMEN1KMT2A

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
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed