SCHEMBL7603075

SCHEMBL7603075

COc1cc(C)c(C(=O)c2c(OC)ccc(Br)c2C)c(OCc2ccccc2F)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX12 P18054 1/20 0.46
BLM P54132 1/20 0.46
PLEC Q15149 1/20 0.46
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
THRB P10828 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6738712 0.94 MAPT (0.46) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7600520 0.91 MAPT (0.50) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6740056 0.87 MAPT (0.46) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7520130 0.83 MAPT (0.51) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6691257 0.83 MAPT (0.52) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6742068 0.82 MAPT (0.50) MAPTMEN1KMT2AALDH1A1GAA
Metrafenone SCHEMBL30013482 0.82 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
Metrafenone SCHEMBL29408434 0.82 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
Metrafenone SCHEMBL20788 0.82 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7602501 0.81 THRA (0.46) MAPTMEN1KMT2AALDH1A1LMNA

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
US-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed