SCHEMBL9710658

SCHEMBL9710658

N#Cc1ccc(Oc2cccc3c(O)cccc23)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.42
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MEN1 O00255 1/20 0.35
JAK2 O60674 1/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR6 P46095 1/20 0.35

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
SCHEMBL9711013 0.84 AR (0.37) ARKDM4ECYP11B1MEN1JAK2
SCHEMBL2989414 0.84 SLC6A4 (0.38) ARTRPA1SLC22A12CYP11B1CYP11B2
SCHEMBL9710713 0.83 AR (0.58) ARSLC22A12ESR1MAPTESR2
SCHEMBL2991253 0.80 SLC22A12 (0.39) ARTRPA1SLC22A12CYP11B1CYP11B2
SCHEMBL27579557 0.79 AR (0.42) ARTRPA1SLC22A12MEN1JAK2
SCHEMBL9710755 0.78 CYP11B1 (0.49) ARKDM4ECYP11B1CYP11B2MEN1
SCHEMBL9711028 0.76 F9 (0.42) ARSLC22A12CYP11B1CYP11B2GAA
SCHEMBL9313686 0.76 KDM4E (0.41) KDM4ETRPA1MEN1JAK2USP2
SCHEMBL2995303 0.76 CA1 (0.39) ARKDM4ESLC22A12CYP11B1CYP11B2
SCHEMBL9710776 0.75 NR5A1 (0.44) KDM4EMEN1ESR1MAPTKMT2A

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
WO-1992018467-A1 CYANOPHENOXYNAPHTHYL OXYCARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed