SCHEMBL7500265

SCHEMBL7500265

FC(F)(F)c1ccc2c(NCCc3ccc(Cl)cc3)ccnc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.64
CDK8 P49336 2/20 0.64
CYP1A2 P05177 1/20 0.58
CCR1 P32246 1/20 0.55
FERMT2 Q96AC1 4/20 0.53
HRH3 Q9Y5N1 1/20 0.51
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7506331 0.88 CCNC (0.82) CCNCCDK8CYP1A2KDM4ELMNA
SCHEMBL7500391 0.86 CYP1A2 (0.78) CCNCCDK8CYP1A2CCR1FERMT2
SCHEMBL7509008 0.85 HTR1A (0.60) CCNCCDK8FERMT2HRH3KDM4E
SCHEMBL7509966 0.85 CYP1A2 (0.57) CCNCCDK8CYP1A2CCR1FERMT2
SCHEMBL7510063 0.85 CYP1A2 (0.61) CCNCCDK8CYP1A2CCR1FERMT2
SCHEMBL7500994 0.85 CYP1A2 (0.63) CCNCCDK8CYP1A2CCR1FERMT2
SCHEMBL7504535 0.83 CCNC (0.64) CCNCCDK8CYP1A2KDM4ELMNA
SCHEMBL7501864 0.81 GAK (0.56) CCNCCDK8CYP1A2FERMT2KDM4E
SCHEMBL5549300 0.80 FERMT2 (0.68) CCNCCDK8CYP1A2CCR1FERMT2
SCHEMBL1855953 0.80 CCNC (0.55) CCNCCDK8CYP1A2CCR1FERMT2

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