SCHEMBL5204470

SCHEMBL5204470

Nc1ncc(Oc2ccc(Cl)cc2)c(Nc2ccc(O)cc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SCN9A Q15858 7/20 0.39
KCNH2 Q12809 4/20 0.39
SCN5A Q14524 4/20 0.39
MAPT P10636 3/20 0.39
CCNT1 O60563 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK9 P50750 1/20 0.39
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
BCL6 P41182 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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 0.89 SCN9A (0.47) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL5204622 0.86 SCN9A (0.51) SCN9AKCNH2SCN5ATTBK1TTBK2
Hydrochloric Acid SCHEMBL5203439 0.85 SCN9A (0.50) SCN9AKCNH2SCN5ATTBK1TTBK2
SCHEMBL6474359 0.82 MEN1 (0.43) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL5204374 0.82 SCN9A (0.44) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL6473728 0.79 MAPT (0.50) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL7460599 0.78 MEN1 (0.34) MEN1KMT2ASCN9ASCN5AMAPT
SCHEMBL5205246 0.78 SCN9A (0.45) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL6473796 0.77 MAPT (0.51) MEN1KMT2AMAPTTSHRNPC1
SCHEMBL6474559 0.77 GAA (0.43) MEN1KMT2ASCN9ASCN5AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed