SCHEMBL2331746

SCHEMBL2331746

O=CC(c1ccc(Br)cc1)c1ccc(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
ERN1 O75460 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2827168 0.90 TYR (0.43) TYRMAPTALDH1A1
SCHEMBL5204089 0.84 TYR (0.42) TYRLMNASLC5A1SLC5A2
SCHEMBL3958574 0.84 TYR (0.39) TYRMAPTLMNASLC5A1SLC5A2
SCHEMBL4686426 0.83 TYR (0.57) TYRMAPTGAAMEN1ALDH1A1
SCHEMBL7723547 0.82 TYR (0.40) TYRMAPTRAB9ALMNAMEN1
SCHEMBL26999421 0.81 ALOX15 (0.54) MAPTLMNAGAAMEN1ALDH1A1
SCHEMBL3955351 0.80 MEN1 (0.51) TYRNPC1MAPTRAB9ALMNA
SCHEMBL6631529 0.80 GABRA1 (0.38) NPC1MAPTRAB9ALMNAMEN1
SCHEMBL14855983 0.79 TYR (0.47) TYRRAB9ALMNA
SCHEMBL19806929 0.78 ALOX15 (0.44) TYRNPC1MAPTRAB9ALMNA

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-2533638-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 WO disclosed