SCHEMBL3047664

SCHEMBL3047664

O=P(O)(O)Oc1ccccc1-c1ccc(Br)cc1.[KH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.46
INPP5A Q14642 4/20 0.46
INPP5B P32019 2/20 0.46
SRC P12931 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
PDE3A Q14432 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC6A3 Q01959 1/20 0.43
AKT1 P31749 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GPR84 Q9NQS5 1/20 0.37
MAPK1 P28482 3/20 0.37
PTPRC P08575 1/20 0.37
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3693358 0.84 KDM4E (0.56) INPPL1INPP5AINPP5BSRCALDH1A1
Hydrochloric Acid SCHEMBL28439740 0.82 KDM4E (0.55) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL343312 0.81 INPPL1 (0.47) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL9645945 0.80 INPPL1 (0.61) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL31530599 0.79 KDM4E (0.56) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL9308174 0.77 INPPL1 (0.55) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL27780600 0.77 ALDH1A1 (0.53) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL11726928 0.76 INPPL1 (0.43) INPPL1INPP5AINPP5BSRCALDH1A1
Sulfur Dioxide SCHEMBL28730798 0.75 SLC6A3 (0.39) ALDH1A1HSD17B10SLC6A3MEN1KMT2A
Ether SCHEMBL8746888 0.74 KDM4E (0.46) INPPL1INPP5AINPP5BSRCALDH1A1

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
EP-3924343-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2021-12-22 EP disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed