SCHEMBL7574674

SCHEMBL7574674

CCCCOc1cc(-c2cccs2)c(OCCCC)c(C#N)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.41
MAPT P10636 10/20 0.41
ALDH1A1 P00352 13/20 0.40
HPGD P15428 11/20 0.40
NPSR1 Q6W5P4 6/20 0.40
GAA P10253 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
STAT6 P42226 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
PIM1 P11309 3/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
GLA P06280 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HCRTR1 O43613 1/20 0.37
NPC1 O15118 2/20 0.36

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 0.80 KDM4E (0.39) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL7576174 0.78 PDE3A (0.46) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL7572253 0.78 CYP3A4 (0.46) KDM4EMAPTALDH1A1HPGDPIM1
Dimethylamine SCHEMBL7572333 0.77 KDM4E (0.39) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL2783444 0.76 SLC6A9 (0.43) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL7572249 0.76 CYP1A2 (0.46) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL7580611 0.75 MAPT (0.44) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL7573743 0.75 MAPT (0.41) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL4849668 0.74 SLC6A9 (0.42) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL11983237 0.74 SLC6A9 (0.42) KDM4EMAPTALDH1A1HPGDGAA

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