SCHEMBL13900784

SCHEMBL13900784

C(#Cc1ccc(-c2ccncc2)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.61
▸ APP P05067 1/20 0.55
▸ GRM5 P41594 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KCNH2 Q12809 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ATAD2 Q6PL18 1/20 0.42

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
SCHEMBL9610050 0.95 APP (0.55) NOTUMAPPGRM5MAPTCYP1A1
SCHEMBL9928719 0.91 NOTUM (0.61) NOTUMAPPGRM5MAPTCYP1A1
SCHEMBL30718530 0.91 MAPT (0.61) NOTUMAPPGRM5MAPTCYP1A1
SCHEMBL13219274 0.88 MAPT (0.58) NOTUMGRM5MAPTCYP1A1CYP1A2
SCHEMBL17224548 0.88 APP (0.63) NOTUMAPPGRM5MAPT
SCHEMBL9610040 0.85 MAPT (0.53) NOTUMAPPGRM5MAPTCYP1A1
SCHEMBL2925968 0.85 APP (0.67) NOTUMAPPGRM5MAPTCYP1A2
SCHEMBL5949303 0.85 APP (0.75) APPGRM5MAPTCYP1A1CYP1A2
SCHEMBL5886608 0.83 APP (0.71) APPGRM5MAPTCYP1A1CYP1A2
SCHEMBL1108052 0.82 NOTUM (0.45) NOTUMAPPGRM5MAPTCYP1A1

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-7504505-B2 Synthetic nanopores for DNA sequencing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-17 — — US disclosed
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