SCHEMBL7715410

SCHEMBL7715410

CCCCOc1cc(-c2ccccc2)c(OCCCC)c(C#N)c1C#N.CCCCOc1cc(Br)c(OCCCC)c(C#N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
SQOR Q9Y6N5 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIM1 P11309 2/20 0.36
BCHE P06276 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
SCHEMBL7573073 0.93 KDM4E (0.39) TP53SMN1; SMN2MAPK1THRATHRB
Dimethylamine SCHEMBL7572333 0.89 KDM4E (0.39) SMN1; SMN2MAPK1SQORKDM4EHPGD
SCHEMBL7572306 0.86 THRA (0.43) L3MBTL1SMN1; SMN2THRATHRBKDM4E
SCHEMBL7572253 0.81 CYP3A4 (0.46) SMN1; SMN2SQORKDM4EHPGDMAPT
SCHEMBL7573743 0.81 MAPT (0.41) L3MBTL1TP53SMN1; SMN2MAPK1SQOR
SCHEMBL7580611 0.81 MAPT (0.44) SMN1; SMN2SQORKDM4EHPGDNPSR1
SCHEMBL7575694 0.80 CNR2 (0.39) HPGDMAPTALDH1A1PTPN11
SCHEMBL7575492 0.79 RARB (0.55) TP53HPGDALDH1A1PTPN11
SCHEMBL7573733 0.79 GRM2 (0.41) TP53MAPK1SQORKDM4EHPGD
SCHEMBL7572329 0.79 PIM1 (0.41) SMN1; SMN2MAPK1KDM4EHPGDMAPT

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-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed