SCHEMBL8936779

SCHEMBL8936779

CNc1cc(Oc2ccc(C(F)(F)F)cc2Cn2cncn2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.42
HTR2A P28223 5/20 0.42
KCNH2 Q12809 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
SCN9A Q15858 7/20 0.36
CYP19A1 P11511 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8936697 0.85 SLC6A4 (0.39) SLC6A4HTR2AKCNH2MAPTSCN9A
SCHEMBL8936797 0.85 HTR2A (0.41) SLC6A4HTR2AKCNH2MAPTKDM4E
SCHEMBL8936739 0.84 MEN1 (0.40) SLC6A4HTR2AKCNH2MAPTLMNA
SCHEMBL8936780 0.76 KDM4E (0.38) SLC6A4HTR2AKCNH2KDM4EALOX15
SCHEMBL8936701 0.76 CCR1 (0.39) SLC6A4HTR2AKCNH2MAPTSCN9A
SCHEMBL9202877 0.74 PKM (0.40) SLC6A4SCN9ACYP19A1CYP1A2CYP3A4
SCHEMBL8936749 0.72 CYP19A1 (0.40) SLC6A4HTR2AKCNH2MAPTLMNA
SCHEMBL9198771 0.72 PKM (0.41) SLC6A4HTR2AKCNH2MAPTLMNA
SCHEMBL9196269 0.70 CYP19A1 (0.43) SLC6A4HTR2AMAPTNPSR1SCN9A
SCHEMBL8936771 0.70 TDP1 (0.41) SLC6A4HTR2AKCNH2MAPTLMNA

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