SCHEMBL7205754

SCHEMBL7205754

CCCCCc1[c]c(-c2[c]ccc3ccccc23)c2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KCNH2 Q12809 1/20 0.34
CNR1 P21554 3/20 0.34
TLR8 Q9NR97 1/20 0.33
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 4/20 0.32
NPC1 O15118 4/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 4/20 0.32
HTT P42858 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
GLA P06280 1/20 0.32
RCE1 Q9Y256 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL7943109 0.73 ALDH1A1 (0.40) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL4629536 0.73 KCNH2 (0.42) MAPTKCNH2CNR1TLR8CNR2
SCHEMBL10760575 0.72 KCNH2 (0.44) MAPTKCNH2CNR1TLR8CNR2
SCHEMBL2254077 0.72 KCNH2 (0.44) MAPTKCNH2CNR1TLR8CNR2
SCHEMBL5750528 0.72 KCNH2 (0.44) MAPTKCNH2CNR1TLR8CNR2
SCHEMBL292073 0.72 KCNH2 (0.44) MAPTKCNH2CNR1TLR8CNR2
SCHEMBL11754126 0.72 KCNH2 (0.44) MAPTKCNH2CNR1TLR8CNR2
SCHEMBL114219 0.72 ALDH1A1 (0.48) ALDH1A1TDP1CYP1A2HPGDCYP2C19
SCHEMBL7565940 0.71 TRPM4 (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7950716 0.70 ALDH1A1 (0.33) KDM4EALDH1A1GAACYP1A2HPGD

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
US-6610891-B1 Reduces degradation or decomposition of catalyst MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-26 US disclosed