SCHEMBL28230577

SCHEMBL28230577

O=C(O)c1ccc2cccc(I)c2n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
KMT2A Q03164 2/20 0.66
MMP2 P08253 4/20 0.53
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ACMSD Q8TDX5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MGAM O43451 1/20 0.52
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
PIM1 P11309 1/20 0.46

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
Benzene SCHEMBL27872024 0.82 KDM4E (0.70) KDM4EKMT2AMMP2ALOX15TSHR
Benzene SCHEMBL27888317 0.80 KDM4E (0.68) KDM4EKMT2AMMP2ALOX15TSHR
SCHEMBL1088781 0.80 KDM4E (0.67) KDM4EKMT2AMMP2ALOX15TSHR
SCHEMBL30170409 0.79 KDM4E (0.68) KDM4EKMT2AMMP2ALOX15TSHR
SCHEMBL7143621 0.79 KDM4E (0.68) KDM4EKMT2AMMP2ALOX15TSHR
SCHEMBL29697210 0.79 KDM4E (1.00) KDM4EKMT2AMMP2ALOX15TSHR
SCHEMBL171491 0.79 KDM4E (1.00) KDM4EKMT2AMMP2ALOX15TSHR
Iodobenzene SCHEMBL28822053 0.78 KDM4E (0.81) KDM4EKMT2AMMP2ALOX15TSHR
SCHEMBL3388245 0.78 KDM4E (0.66) KDM4EKMT2AMMP2ALOX15TSHR
SCHEMBL4751890 0.78 KDM4E (0.66) KDM4EKMT2AMMP2ALOX15TSHR

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
CN-108314647-B Preparation method of quinoline-2-formic acid and quinoline-2-formic acid derivative 华中科技大学 2020-06-26 CN claimed
CN-108314647-A A kind of preparation method of quinoline -2- formic acid and quinoline -2- formic acid derivates 华中科技大学 2018-07-24 CN claimed
CN-108314647-B Preparation method of quinoline-2-formic acid and quinoline-2-formic acid derivative 华中科技大学 2020-06-26 CN disclosed
CN-108314647-A A kind of preparation method of quinoline -2- formic acid and quinoline -2- formic acid derivates 华中科技大学 2018-07-24 CN disclosed