SCHEMBL6869886

SCHEMBL6869886

S=c1c2ccccc2oc2c([SH2+])cc(-c3ccccc3)c(-c3ccccc3)c12.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2A P29274 1/20 0.31
MEN1 O00255 1/20 0.31
CSF1R P07333 1/20 0.31
PDGFRB P09619 1/20 0.31
MAPT P10636 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6877552 0.75 MAOB (0.41) ALDH1A1LMNATSHRMEN1MAPT
SCHEMBL5040537 0.74 MAPT (0.33) CA1CA2ALOX5KDM4EALDH1A1
SCHEMBL5040376 0.69 NPC1 (0.36) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL24511061 0.66 AHR (0.45) CDC14BCDC14ACA1CA2ALOX5
SCHEMBL17106869 0.65 CA1 (0.43) CDC14BCDC14ACA1CA2ALOX5
SCHEMBL24614914 0.65 CDC14B (0.42) CDC14BCDC14ACA1CA2ALOX5
SCHEMBL27904857 0.64 CDC14B (0.40) CDC14BCDC14ACA1CA2ALOX5
SCHEMBL24614738 0.64 CDC14B (0.41) CDC14BCDC14ACA1CA2ALOX5
SCHEMBL5045841 0.64 MAOA (0.53) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL3522339 0.63 MEN1 (0.31) ALDH1A1MEN1CSF1RPDGFRBMAPT

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
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed