SCHEMBL28089352

SCHEMBL28089352

COc1c(F)c(F)c(Br)c(Br)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
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

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
SCHEMBL27722046 0.81 MEN1 (0.44) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL27439512 0.81 PTPN1 (0.44) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL28069467 0.81 PTPN1 (0.48) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL9378544 0.79 KMT2A (0.49) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL27827479 0.79 MEN1 (0.49) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL29710578 0.79 KMT2A (0.49) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL5702932 0.77 MEN1 (0.54) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL27572490 0.77 PTPN1 (0.44) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL27730255 0.77 PTPN1 (0.44) PTPN1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL29154296 0.75 MEN1 (0.53) PTPN1MEN1KMT2ACYP2C9CYP1A2

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
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