SCHEMBL8936811

SCHEMBL8936811

Clc1ccc(Oc2ccc3ccccc3c2)c(CBr)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
MAPT P10636 2/20 0.61
LMNA P02545 1/20 0.61
SLC6A4 P31645 8/20 0.51
CYP2A6 P11509 1/20 0.47
HTR2A P28223 5/20 0.47
KCNH2 Q12809 3/20 0.47
PPARG P37231 1/20 0.45
GAA P10253 1/20 0.45
RCE1 Q9Y256 1/20 0.45
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1I2 O75469 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL20550935 0.81 PPARG (0.51) HTTMAPTLMNASLC6A4HTR2A
SCHEMBL4448137 0.79 SLC6A4 (0.53) MAPTSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL8936781 0.78 ESRRA (0.43) HTTMAPTLMNASLC6A4KCNH2
SCHEMBL8936827 0.76 HTT (0.67) HTTMAPTLMNASLC6A4CYP2A6
SCHEMBL9194951 0.74 FNTA (0.56) HTTMAPTLMNAMEN1KMT2A
SCHEMBL6783620 0.73 L3MBTL1 (0.55) HTTMAPTLMNAGAAMEN1
SCHEMBL5660028 0.73 CYP1A2 (0.53) HTTSLC6A4CYP2A6HTR2AKCNH2
SCHEMBL25101080 0.72 HTT (0.57) HTTMAPTLMNASLC6A4CYP2A6
SCHEMBL3155165 0.72 GAA (0.56) HTTMAPTLMNASLC6A4CYP2A6
SCHEMBL30207438 0.72 HTT (0.57) HTTMAPTLMNASLC6A4CYP2A6

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
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed