SCHEMBL6913232

SCHEMBL6913232

Cc1cc(C)c(/N=C/c2cccc(/C=N/c3ccccc3)n2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
NR4A1 P22736 1/20 0.41
MAPT P10636 6/20 0.38
RAB9A P51151 3/20 0.38
MAOB P27338 1/20 0.37
ALDH1A1 P00352 8/20 0.35
CYP1A2 P05177 4/20 0.35
HPGD P15428 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 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
SCHEMBL6913236 1.00 MAOA (0.47) MAOANR4A1MAPTRAB9AMAOB
SCHEMBL5588352 0.92 ALDH1A1 (0.38) MAOANR4A1MAPTMAOBALDH1A1
SCHEMBL5588346 0.92 ALDH1A1 (0.38) MAOANR4A1MAPTMAOBALDH1A1
SCHEMBL25430564 0.91 NR4A1 (0.41) MAOANR4A1MAPTRAB9AMAOB
SCHEMBL25429946 0.91 MAPT (0.40) MAOANR4A1MAPTRAB9AMAOB
SCHEMBL7063558 0.90 MAOA (0.50) MAOANR4A1MAPTRAB9AMAOB
SCHEMBL7063554 0.90 MAOA (0.50) MAOANR4A1MAPTRAB9AMAOB
SCHEMBL5589321 0.90 ALDH1A1 (0.37) MAOANR4A1MAPTMAOBALDH1A1
SCHEMBL6915044 0.89 MAOA (0.42) MAOANR4A1MAPTRAB9AMAOB
SCHEMBL6915046 0.89 MAOA (0.42) MAOANR4A1MAPTRAB9AMAOB

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
WO-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed