SCHEMBL6474359

SCHEMBL6474359

Cc1ccc(Nc2nc(N)ncc2Oc2ccc(Cl)cc2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SCN9A Q15858 6/20 0.40
MAPT P10636 4/20 0.40
SCN5A Q14524 4/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 4/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL5202344 0.85 SCN9A (0.47) MEN1KMT2ASCN9AMAPTSCN5A
SCHEMBL5204470 0.82 MEN1 (0.42) MEN1KMT2ASCN9AMAPTSCN5A
SCHEMBL5204374 0.78 SCN9A (0.44) MEN1KMT2ASCN9AMAPTSCN5A
SCHEMBL5204622 0.77 SCN9A (0.51) SCN9ASCN5AKCNH2
Hydrochloric Acid SCHEMBL5203439 0.76 SCN9A (0.50) SCN9ASCN5AKCNH2
SCHEMBL5205246 0.76 SCN9A (0.45) MEN1KMT2ASCN9AMAPTSCN5A
SCHEMBL6473728 0.75 MAPT (0.50) MEN1KMT2AMAPTTSHRNPC1
SCHEMBL6481407 0.75 AURKA (0.47) MEN1KMT2ASCN9AMAPTSCN5A
SCHEMBL5207711 0.74 SCN9A (0.43) MEN1KMT2ASCN9AMAPTSCN5A
SCHEMBL6473796 0.73 MAPT (0.51) MEN1KMT2AMAPTTSHRNPC1

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-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US claimed