SCHEMBL5802131

SCHEMBL5802131

O=C1C=CC(=O)C(c2cccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)=C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
HSD17B3 P37058 1/20 0.50
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
PTPN1 P18031 3/20 0.39
PTPRC P08575 2/20 0.39
CDC25B P30305 2/20 0.39
PTPRF P10586 1/20 0.39
BACE1 P56817 4/20 0.36
PTPN11 Q06124 1/20 0.36
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ELAVL1 Q15717 2/20 0.33

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
SCHEMBL5599120 0.77 ACHE (0.42) MAPK1MAPTKDM4ETDP1LMNA
SCHEMBL27858430 0.76 MAOA (0.70) MAOAMAOBHSD17B3CCR6HKDC1
SCHEMBL28461699 0.74 PTPN1 (0.45) MAOAMAOBHSD17B3CCR6HKDC1
SCHEMBL29241865 0.73 MAOA (0.64) MAOAMAOBHSD17B3CCR6HKDC1
SCHEMBL31189139 0.73 MAOA (0.64) MAOAMAOBHSD17B3CCR6HKDC1
SCHEMBL8887895 0.73 MAOA (0.43) MAOAMAOBHSD17B3CCR6HKDC1
SCHEMBL197980 0.73 PTPN1 (0.59) MAOAMAOBHSD17B3CCR6HKDC1
SCHEMBL29250725 0.72 MAOA (0.42) MAOAMAOBHSD17B3CCR6HKDC1
SCHEMBL28191302 0.71 PTPN1 (0.57) MAOAMAOBHSD17B3CCR6HKDC1
SCHEMBL26262 0.71 MAOA (1.00) MAOAMAOBHSD17B3CCR6HKDC1

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-2006085494-A1 FLAME-RETARDANT COMPOSITION FOR SOLDER RESIST AND USE THEREOF SHOWA DENKO K.K. (JP) 2006-08-17 WO disclosed