SCHEMBL5040537

SCHEMBL5040537

S=c1c2ccccc2oc2c([SH2+])cccc12.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 4/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MAOA P21397 3/20 0.33
ADORA3 P0DMS8 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 2/20 0.30

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
SCHEMBL5045841 0.82 MAOA (0.53) MAPTMEN1KMT2AALDH1A1MAOA
SCHEMBL3522339 0.79 MEN1 (0.31) MAPTMEN1CSF1RPDGFRBKIT
SCHEMBL5040376 0.77 NPC1 (0.36) MAPTMEN1KMT2AALDH1A1MAOA
SCHEMBL6869886 0.74 CDC14B (0.33) MAPTMEN1CSF1RPDGFRBKIT
SCHEMBL6879032 0.70 CYP2A6 (0.44) MAPTALDH1A1MAOAADORA3NPC1
SCHEMBL5608879 0.69 AHR (0.50) MAPTMEN1KMT2AALDH1A1MAOA
SCHEMBL9851951 0.69 CDC14B (0.39) MAPTMEN1CSF1RPDGFRBKIT
SCHEMBL9851906 0.69 MAOA (0.64) MAPTMEN1KMT2AMAOAKDM4E
SCHEMBL195537 0.69 ALDH1A1 (0.56) MAPTMEN1KMT2AALDH1A1RXFP1
SCHEMBL29487286 0.69 ALDH1A1 (0.56) MAPTMEN1KMT2AALDH1A1RXFP1

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-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 EP disclosed