SCHEMBL7580319

SCHEMBL7580319

N#Cc1c(N2CCCCC2)ccc(N2CCCCC2)c1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 4/20 0.61
AR P10275 1/20 0.52
GRM2 Q14416 1/20 0.48
LMNA P02545 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.42
S100B P04271 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.42
KEAP1 Q14145 1/20 0.42
NPC1 O15118 1/20 0.42
GALR3 O60755 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL573134 0.82 ALDH1A1 (0.67) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL1871089 0.82 ALDH1A1 (0.67) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL16792805 0.80 L3MBTL1 (0.65) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL1878340 0.79 ALDH1A1 (0.69) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL533684 0.79 ALDH1A1 (0.63) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL3852474 0.79 L3MBTL1 (0.63) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL16793536 0.79 KDM4E (0.71) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL1154557 0.79 KDM4E (0.71) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL16793176 0.79 KDM4E (0.63) L3MBTL1TDP1ALDH1A1KDM4EAR
SCHEMBL16793164 0.78 L3MBTL1 (0.47) L3MBTL1TDP1ALDH1A1KDM4EAR

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