SCHEMBL806476

SCHEMBL806476

Pn1ncc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
CYP1A2 P05177 1/20 0.43
KMO O15229 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL329140 0.76 RECQL (0.47) RECQLCYP1A2KMOSLC22A12CYP11B1
SCHEMBL276288 0.73 RECQL (0.48) RECQLCYP1A2KMOSLC22A12CYP11B1
SCHEMBL30270004 0.73 KDM4E (0.56) RECQLCYP1A2KMOCYP11B1CYP11B2
SCHEMBL13052911 0.73 CYP11B2 (0.55) RECQLCYP1A2KMOCYP11B1CYP11B2
SCHEMBL729956 0.73 KDM4E (0.56) RECQLCYP1A2KMOCYP11B1CYP11B2
SCHEMBL315321 0.71 RECQL (0.47) RECQLCYP1A2KMOSLC22A12CYP11B1
SCHEMBL787026 0.71 RECQL (0.47) RECQLCYP1A2KMOSLC22A12CYP11B1
SCHEMBL13647386 0.71 RECQL (0.47) RECQLCYP1A2KMOSLC22A12CYP11B1
SCHEMBL61456 0.71 RECQL (0.47) RECQLCYP1A2KMOSLC22A12CYP11B1
SCHEMBL2010731 0.71 RECQL (0.47) RECQLCYP1A2KMOSLC22A12CYP11B1

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
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed