SCHEMBL28069467

SCHEMBL28069467

COc1c(Br)c(F)c(F)c(C(=O)O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
GFER P55789 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TPMT P51580 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL27439512 0.89 PTPN1 (0.44) PTPN1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL27722046 0.85 MEN1 (0.44) PTPN1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL27819507 0.84 PTPN1 (0.44) PTPN1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL28089352 0.81 PTPN1 (0.48) PTPN1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL4998879 0.79 MAPT (0.44) PTPN1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL5702932 0.77 MEN1 (0.54) PTPN1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL9333813 0.77 PTPN1 (0.64) PTPN1HSD17B10ALDH1A1KDM4ETPMT
SCHEMBL27572490 0.77 PTPN1 (0.44) PTPN1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL9134557 0.77 MEN1 (0.40) MEN1KMT2ACYP2C9CYP1A2GFER
SCHEMBL27730255 0.77 PTPN1 (0.44) PTPN1HSD17B10ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801482-A Method for preparing 1-cyclopropyl-4-oxo-7-bromine-8-difluoromethoxy-1,4-dihydro-quinoline-3-nonanoic acid-ethyl ester 浙江中欣氟材股份有限公司 2016-07-27 CN disclosed
CN-105777631-A Synthesizing method of 1-cyclopropyl-4-oxo-7-bromo-8-difluoromethoxy-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 浙江中欣氟材股份有限公司 2016-07-20 CN disclosed