SCHEMBL4337232

SCHEMBL4337232

CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(C(=O)CBr)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
RECQL P46063 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 2/20 0.59
ENPP1 P22413 7/20 0.58
ENPP3 O14638 6/20 0.58
KDM4E B2RXH2 1/20 0.51
KDM4A O75164 1/20 0.51
LMNA P02545 3/20 0.50
ENPP2 Q13822 2/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GSK3B P49841 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL4330199 0.86 PTPN1 (0.65) ALDH1A1RECQLMEN1KMT2AMAPT
SCHEMBL4326069 0.85 KMT2A (0.48) ALDH1A1RECQLMEN1KMT2AMAPT
SCHEMBL4342457 0.85 GSK3B (0.62) ALDH1A1MEN1KMT2AENPP1ENPP3
SCHEMBL919272 0.81 GSK3B (0.66) ALDH1A1RECQLMEN1KMT2AMAPT
SCHEMBL4321294 0.80 PTPN1 (0.64) MEN1KMT2AMAPTENPP1ENPP3
SCHEMBL5150156 0.78 ALDH1A1 (0.65) ALDH1A1RECQLMEN1KMT2AMAPT
SCHEMBL8067321 0.78 ALDH1A1 (0.65) ALDH1A1RECQLMEN1KMT2AMAPT
SCHEMBL4334952 0.78 ENPP1 (0.53) MEN1KMT2AENPP1GSK3BCA2
SCHEMBL9310139 0.78 ALDH1A1 (0.64) ALDH1A1RECQLMEN1KMT2AMAPT
SCHEMBL4326754 0.77 MAPT (0.65) ALDH1A1RECQLMEN1KMT2AMAPT

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-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed