SCHEMBL31146877

SCHEMBL31146877

Nc1cc2c(cc1I)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.37
TAAR1 Q96RJ0 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SLC6A4 P31645 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SLC6A3 Q01959 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1743405 1.00 MAPT (0.47) MAPTMEN1POLBKMT2AMCL1
SCHEMBL1742802 0.82 CYP3A4 (0.44) MAPTMEN1POLBKMT2AMCL1
SCHEMBL546296 0.82 MAPT (0.56) MAPTMEN1POLBKMT2AMCL1
SCHEMBL29415600 0.82 MAPT (0.56) MAPTMEN1POLBKMT2AMCL1
SCHEMBL31709528 0.82 CYP3A4 (0.44) MAPTMEN1POLBKMT2AMCL1
Water SCHEMBL28525395 0.79 MAPT (0.54) MAPTMEN1POLBKMT2AMCL1
Hydrochloric Acid SCHEMBL30387908 0.79 MAPT (0.54) MAPTMEN1POLBKMT2AMCL1
Hydrochloric Acid SCHEMBL29483368 0.79 MAPT (0.54) MAPTMEN1POLBKMT2AMCL1
SCHEMBL4133359 0.78 CYP3A4 (0.38) MAPTMEN1POLBKMT2AMCL1
SCHEMBL15893452 0.73 GAA (0.52) MAPTMEN1POLBKMT2AMCL1

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-4680606-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS AtmosR (FR) 2026-01-21 EP disclosed
WO-2024194175-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS ATMOSR (FR) 2024-09-26 WO disclosed