SCHEMBL7572329

SCHEMBL7572329

CCCCOc1cc(-c2ccc(N(C)C)cc2)c(OCCCC)c(C#N)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PTGES O14684 1/20 0.36
IKBKB O14920 1/20 0.36
GAA P10253 4/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
CNR1 P21554 1/20 0.35
MAPT P10636 2/20 0.35
MGAM O43451 3/20 0.34
SI P14410 3/20 0.34
MGAM2 Q2M2H8 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7580611 0.85 MAPT (0.44) PIM1GAAMAPTMGAMSI
SCHEMBL7573743 0.85 MAPT (0.41) GAAMAPTMGAMSIMGAM2
SCHEMBL7573073 0.85 KDM4E (0.39) PIM1MAPTKDM4ENPC1ALDH1A1
SCHEMBL7575694 0.84 CNR2 (0.39) GAACNR1MAPTMGAMSI
SCHEMBL7572253 0.82 CYP3A4 (0.46) PIM1MAPTKDM4ENPC1ALDH1A1
Dimethylamine SCHEMBL7572333 0.81 KDM4E (0.39) PIM1MAPTKDM4EALDH1A1HPGD
SCHEMBL7575492 0.81 RARB (0.55) ALDH1A1HPGDRARB
SCHEMBL7715410 0.79 L3MBTL1 (0.39) PIM1MAPTKDM4EALDH1A1HPGD
SCHEMBL7576174 0.78 PDE3A (0.46) PTGESGAAMAPTKDM4EALDH1A1
SCHEMBL7579721 0.78 GRM2 (0.35) GAACNR1MAPTMGAMSI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
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