SCHEMBL13347357

SCHEMBL13347357

Nc1cc2nc(-c3ccc(-c4nc5cc6nc(-c7ccc(-c8nc9cc(N)c(O)cc9o8)cc7)oc6cc5o4)cc3)oc2cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ SNCA P37840 1/20 0.59
▸ ESR1 P03372 9/20 0.57
▸ ESR2 Q92731 9/20 0.57
▸ NPC1 O15118 8/20 0.53
▸ RAB9A P51151 8/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ GFER P55789 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ TP53 P04637 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48

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
SCHEMBL14431305 0.89 NPC1 (0.62) MAPTSNCAESR1ESR2NPC1
SCHEMBL13496378 0.89 MAPT (0.55) MAPTSNCAESR1ESR2NPC1
SCHEMBL4307744 0.86 MAPT (0.51) MAPTSNCAESR1ESR2NPC1
Ammonia Solution, Strong SCHEMBL17024437 0.84 MAPT (0.50) MAPTSNCAESR1ESR2NPC1
SCHEMBL15723573 0.82 MAPT (0.55) MAPTSNCAESR1ESR2NPC1
SCHEMBL10424044 0.82 NPC1 (0.60) MAPTSNCAESR1ESR2NPC1
SCHEMBL17024443 0.81 MAPT (0.70) MAPTSNCAESR1ESR2NPC1
SCHEMBL12209688 0.81 RAB9A (0.77) MAPTSNCAESR1ESR2NPC1
SCHEMBL13254489 0.81 ESR2 (0.77) MAPTSNCAESR1ESR2NPC1
SCHEMBL14030787 0.80 MAPT (0.51) MAPTSNCAESR1ESR2NPC1

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-20100119822-A1 CARBON NANOTUBE COPOLYMERS AND COMPOSITIONS AND METHODS OF USING THE SAME SPIRIT AEROSYSTEMS, INC. (US) 2010-05-13 — — US disclosed
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