SCHEMBL28197879

SCHEMBL28197879

Cc1c(O)ccc2cc(C(F)(F)F)c(=O)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 2/20 0.50
PABPC1 P11940 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ESR2 Q92731 15/20 0.48
ESR1 P03372 10/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.43
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL28058893 0.81 CSNK2A2 (0.58) ESR2ESR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27935833 0.78 ADORA3 (0.56) MEN1KMT2AGAAMAOBMAOA
SCHEMBL6933533 0.76 ESR2 (0.55) MEN1KMT2AATMPABPC1ERAP1
SCHEMBL9135495 0.74 CSNK2A2 (0.69) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL106506 0.71 HSD17B3 (0.58) MEN1KMT2AERAP1ESR2KDM4E
SCHEMBL28642209 0.71 MAOB (0.47) MEN1KMT2AALDH1A1MAOBMAPK1
SCHEMBL16702494 0.71 MEN1 (0.52) MEN1KMT2AATMPABPC1ERAP1
SCHEMBL4178185 0.71 MCL1 (0.66) MEN1KMT2AATMPABPC1ERAP1
SCHEMBL28417210 0.70 CYP3A4 (0.47) MEN1KMT2AATMPABPC1ERAP1
SCHEMBL3130742 0.70 KDM4E (0.55) MEN1KMT2AATMPABPC1ERAP1

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-107674055-A Hydroxycoumarin derivatives of 4 trifluoromethyl 7 and its preparation method and application 南京农业大学 2018-02-09 CN disclosed