SCHEMBL22129178

SCHEMBL22129178

Cc1cc(OC(=O)c2ccc3nccc(OCC(F)F)c3c2)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 2/20 0.39
MAPT P10636 4/20 0.36
GSK3B P49841 1/20 0.36
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 1/20 0.35
RET P07949 1/20 0.35
IDO1 P14902 7/20 0.34
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TGFBR1 P36897 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL22129172 0.80 ALOX15 (0.48) JMJD6MAPTGSK3BALOX15IDO1
SCHEMBL22129170 0.78 JMJD6 (0.36) JMJD6MAPTGSK3BMGLLRET
SCHEMBL22129173 0.76 IDO1 (0.40) MAPTGSK3BIDO1ALDH1A1CYP3A4
SCHEMBL22149303 0.75 IDO1 (0.41) MAPTGSK3BIDO1CYP3A4MET
SCHEMBL22148989 0.75 ABCB1 (0.35) JMJD6MGLLIDO1CSF1RPDGFRB
SCHEMBL22149069 0.73 MAPT (0.37) JMJD6MAPTGSK3BALOX15RET
SCHEMBL22149067 0.72 ABCB1 (0.44) JMJD6MAPTKMT2AMGLLIDO1
SCHEMBL22148987 0.72 MGLL (0.41) JMJD6MGLLIDO1CYP3A4
SCHEMBL11653261 0.69 MAPT (0.50) MAPTALOX15KMT2AALDH1A1
SCHEMBL22149079 0.67 MET (0.36) MAPTGSK3BRETIDO1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111670182-A Quinoline derivatives, preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-09-15 CN disclosed
WO-2020124515-A1 QUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 东莞市东阳光农药研发有限公司 2020-06-25 WO disclosed
WO-2020124515-A1 QUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 东莞市东阳光农药研发有限公司 2020-06-25 WO disclosed