SCHEMBL5309797

SCHEMBL5309797

O=S(=O)(Nc1cc(Br)c(O)c2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.68
HKDC1 Q2TB90 3/20 0.63
MCL1 Q07820 6/20 0.61
MEN1 O00255 2/20 0.61
POLB P06746 2/20 0.61
CFTR P13569 2/20 0.61
RAB9A P51151 2/20 0.61
BLM P54132 2/20 0.61
KMT2A Q03164 2/20 0.61
KEAP1 Q14145 2/20 0.61
NFE2L2 Q16236 2/20 0.61
GOPC Q9HD26 2/20 0.61
G6PD P11413 1/20 0.61
FABP4 P15090 1/20 0.61
BRAF P15056 1/20 0.60
BCL2 P10415 3/20 0.57
BCL2L1 Q07817 3/20 0.57
BCL2A1 Q16548 2/20 0.57
BCL2L2 Q92843 2/20 0.57
HK1 P19367 1/20 0.55

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
SCHEMBL13510382 0.86 EP300 (0.80) EP300HKDC1MCL1MEN1POLB
SCHEMBL3759016 0.83 MEN1 (0.65) EP300HKDC1MCL1MEN1POLB
SCHEMBL13510387 0.81 EP300 (1.00) EP300HKDC1MCL1MEN1POLB
SCHEMBL588908 0.81 HKDC1 (0.60) EP300HKDC1MCL1MEN1POLB
SCHEMBL7587644 0.79 CES1 (0.58)
SCHEMBL4954492 0.79 HKDC1 (0.82) EP300HKDC1KMT2AKEAP1NFE2L2
SCHEMBL16425752 0.79 EP300 (0.77) EP300HKDC1MCL1MEN1POLB
SCHEMBL13509686 0.79 MCL1 (0.71) EP300HKDC1MCL1MEN1POLB
SCHEMBL12768396 0.78 KMT2A (0.65) EP300HKDC1MCL1MEN1POLB
SCHEMBL13510376 0.77 EP300 (0.80) EP300HKDC1MCL1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed