SCHEMBL5748802

SCHEMBL5748802

CCCCCCCCCCc1[c]ccc2cc3ccccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KCNH2 Q12809 2/20 0.42
TLR8 Q9NR97 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CETP P11597 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL2258052 1.00 MAPT (0.44) MAPTKCNH2TLR8LIPGCTSV
SCHEMBL2251595 1.00 MAPT (0.44) MAPTKCNH2TLR8LIPGCTSV
SCHEMBL2253861 0.94 MAPT (0.37) MAPTKCNH2TLR8MEN1NPC1
SCHEMBL5750528 0.87 KCNH2 (0.44) MAPTKCNH2TLR8LIPGCTSV
SCHEMBL2254077 0.87 KCNH2 (0.44) MAPTKCNH2TLR8LIPGCTSV
SCHEMBL10760575 0.87 KCNH2 (0.44) MAPTKCNH2TLR8LIPGCTSV
SCHEMBL292073 0.87 KCNH2 (0.44) MAPTKCNH2TLR8LIPGCTSV
SCHEMBL11754126 0.87 KCNH2 (0.44) MAPTKCNH2TLR8LIPGCTSV
SCHEMBL4629536 0.85 KCNH2 (0.42) MAPTKCNH2TLR8MEN1NPC1
SCHEMBL5024317 0.82 GRIN2D (0.34)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed