SCHEMBL28088161

SCHEMBL28088161

[CH2]c1cnc2c(F)c(F)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.37
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
NPC1 O15118 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12483903 0.77 TET2 (0.44) ABCG2CCR1CCR5CCR8KDM4E
SCHEMBL28012715 0.77 ABCG2 (0.37) ABCG2CCR1CCR5CCR8NPC1
SCHEMBL7082437 0.77 ABCG2 (0.37) ABCG2CCR1CCR5CCR8
SCHEMBL25519639 0.77 CCR1 (0.67) ABCG2CCR1CCR5CCR8KDM4E
SCHEMBL12483271 0.77 ABCG2 (0.40) ABCG2CCR1CCR5CCR8KDM4E
SCHEMBL29801578 0.77 TET2 (0.44) ABCG2CCR1CCR5CCR8KDM4E
SCHEMBL6698154 0.73 ABCG2 (0.38) ABCG2CCR1CCR5CCR8
SCHEMBL25526981 0.73 ABCG2 (0.45) ABCG2CCR1CCR5CCR8
SCHEMBL6698156 0.73 ABCG2 (0.38) ABCG2CCR1CCR5CCR8L3MBTL1
SCHEMBL29940529 0.72 PSMD14 (0.53) ABCG2

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-105906563-B The synthetic method of 7,8- difluoro-quinoline -3- formic acid 苏州康润医药有限公司 2019-01-22 CN disclosed
CN-105906563-A Synthesis method of 7, 8-difluoroquinoline-3-formic acid 苏州康润医药有限公司 2016-08-31 CN disclosed
CN-104447543-B Synthesis method of 3-amino-7, 8-difluoroquinoline and intermediate thereof 苏州康润医药有限公司 2016-08-24 CN disclosed