SCHEMBL5205246

SCHEMBL5205246

Nc1ncc(Oc2ccc(Cl)cc2)c(NO)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.45
KCNH2 Q12809 4/20 0.45
SCN5A Q14524 3/20 0.45
CDK8 P49336 4/20 0.43
CCNC P24863 3/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LTA4H P09960 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TTBK1 Q5TCY1 1/20 0.40

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
SCHEMBL5207711 0.83 SCN9A (0.43) SCN9AKCNH2SCN5ACDK8CCNC
SCHEMBL5205013 0.82 KCNH2 (0.40) SCN9AKCNH2SCN5ACDK8CCNC
SCHEMBL5203245 0.81 SCN9A (0.40) SCN9AKCNH2SCN5ACDK8CCNC
SCHEMBL1375417 0.81 SCN9A (0.40) SCN9AKCNH2SCN5ACDK8CCNC
SCHEMBL5204622 0.81 SCN9A (0.51) SCN9AKCNH2SCN5ATTBK1TTBK2
Hydrochloric Acid SCHEMBL5203439 0.80 SCN9A (0.50) SCN9AKCNH2SCN5ATTBK1TTBK2
SCHEMBL1376217 0.80 NUDT1 (0.43) SCN9AKCNH2SCN5ACDK8CCNC
SCHEMBL5204086 0.80 SCN9A (0.39) SCN9AKCNH2SCN5ACDK8CCNC
SCHEMBL5203452 0.80 P2RX3 (0.49) SCN9AKCNH2SCN5ACDK8CCNC
SCHEMBL1379499 0.79 MEN1 (0.39) SCN9AKCNH2SCN5ACDK8CCNC

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
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed