SCHEMBL8923637

SCHEMBL8923637

O=C(O)CCC(=O)c1cc(Br)c(Br)s1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.65
STING1 Q86WV6 12/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR4A2 P43354 1/20 0.38

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
SCHEMBL23330896 0.81 GSK3B (0.65) GSK3BSTING1MEN1KMT2AKDM4E
SCHEMBL23330859 0.80 GSK3B (0.57) GSK3BSTING1MEN1KMT2AKDM4E
SCHEMBL6788481 0.79 GSK3B (1.00) GSK3BMEN1KMT2AKDM4EALDH1A1
SCHEMBL13919889 0.77 GSK3B (0.69) GSK3BMEN1KMT2AKDM4EALDH1A1
SCHEMBL143904 0.77 GSK3B (1.00) GSK3BMEN1KMT2AKDM4EALDH1A1
SCHEMBL12814481 0.76 GSK3B (0.57) GSK3BMEN1KMT2AALDH1A1POLB
SCHEMBL899479 0.76 GSK3B (0.61) GSK3BMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8935203 0.74 GSK3B (0.59) GSK3BMEN1KMT2AKDM4EALDH1A1
Bromide SCHEMBL8935164 0.74 GSK3B (0.59) GSK3BMEN1KMT2AKDM4EALDH1A1
SCHEMBL23300728 0.74 GSK3B (0.54) GSK3BSTING1MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 WO disclosed