SCHEMBL8504761

SCHEMBL8504761

Cc1ccc(C(=O)c2c(F)ccc(Cn3ncccc3=O)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ P2RY14 Q15391 3/20 0.36
▸ THRB P10828 1/20 0.35
▸ COMT P21964 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KLKB1 P03952 2/20 0.33

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
SCHEMBL8502514 0.74 IDO1 (0.40) IDO1KMT2AMEN1PPARGALDH1A1
SCHEMBL8504764 0.69 ALDH1A1 (0.38) KMT2AMEN1THRBMAPTALDH1A1
SCHEMBL8501880 0.69 ALDH1A1 (0.35) IDO1KMT2AMEN1P2RY14COMT
SCHEMBL8526361 0.69 MAPT (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8504729 0.68 IDO1 (0.41) IDO1KMT2AMEN1P2RY14MAPT
SCHEMBL8504693 0.68 L3MBTL1 (0.38) IDO1KMT2AMEN1MAPTALDH1A1
SCHEMBL8503177 0.68 POLB (0.38) IDO1KMT2AMEN1THRBMAPT
SCHEMBL8504953 0.67 ALDH1A1 (0.38) IDO1KMT2AMEN1P2RY14MAPT
SCHEMBL8502112 0.67 IDO1 (0.40) IDO1ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL5375899 0.67 LMNA (0.36) KMT2AMEN1THRBMAPTALDH1A1

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
US-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 — — US disclosed
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