SCHEMBL4333412

SCHEMBL4333412

O=C(CBr)c1ccc(OC(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.71
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GSK3B P49841 4/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43

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
Beta-Naphtoic Acid SCHEMBL4328136 0.94 PTPN1 (0.63) PTPN1KMT2AMAPTMEN1TDP1
SCHEMBL4328140 0.87 PTPN1 (0.53) PTPN1KMT2AMAPTMEN1TDP1
SCHEMBL2261141 0.84 PTPN1 (0.66) PTPN1KMT2AMAPTMEN1TDP1
SCHEMBL29411099 0.84 PTPN1 (1.00) PTPN1KMT2AMAPTMEN1TDP1
SCHEMBL220588 0.84 PTPN1 (1.00) PTPN1KMT2AMAPTMEN1TDP1
SCHEMBL418527 0.82 MAPT (0.68) PTPN1KMT2AMAPTMEN1TDP1
SCHEMBL3292986 0.81 PTPN1 (0.53) PTPN1KMT2AMAPTMEN1TDP1
SCHEMBL4324217 0.80 GSK3B (0.72) PTPN1KMT2AMAPTMEN1TDP1
SCHEMBL4326711 0.80 MAPT (0.60) KMT2AMAPTMEN1TDP1CES2
SCHEMBL14206802 0.80 NPC1 (0.62) KMT2AMAPTMEN1TDP1CES2

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