SCHEMBL7506331

SCHEMBL7506331

FC(F)(F)c1ccc2c(NCCc3ccccc3)ccnc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.82
CDK8 P49336 6/20 0.82
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
GLA P06280 1/20 0.63
POLB P06746 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
RCE1 Q9Y256 1/20 0.63
PKM P14618 1/20 0.50
HTR1A P08908 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 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
SCHEMBL21750401 0.90 CCNC (1.00) CCNCCDK8KDM4EMEN1ALDH1A1
SCHEMBL7500265 0.88 CCNC (0.64) CCNCCDK8KDM4EMEN1ALDH1A1
SCHEMBL7504535 0.87 CCNC (0.64) CCNCCDK8KDM4EMEN1ALDH1A1
SCHEMBL7509008 0.85 HTR1A (0.60) CCNCCDK8KDM4EMEN1ALDH1A1
SCHEMBL7510741 0.83 KDM4E (0.67) CCNCCDK8KDM4EMEN1ALDH1A1
SCHEMBL7510063 0.82 CYP1A2 (0.61) CCNCCDK8KDM4ELMNAHTT
SCHEMBL1855953 0.82 CCNC (0.55) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL1861045 0.82 CCNC (0.55) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL5549300 0.82 FERMT2 (0.68) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL7503711 0.81 CCNC (0.56) CCNCCDK8KDM4EMEN1ALDH1A1

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-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed