SCHEMBL4593654

SCHEMBL4593654

FC(F)(F)c1ccc(C2(C(Cl)(Cl)C3(c4ccc(C(F)(F)F)cc4)N=NN=N3)N=NN=N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
SLC6A3 Q01959 3/20 0.40
KIF11 P52732 3/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 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
SCHEMBL4593190 0.79 SLC6A3 (0.33) MAOAMAOBSLC6A3SLC6A4SLC6A2
SCHEMBL4594159 0.75 ACHE (0.35) MAOAMAOBCYP19A1ALDH1A1TSHR
SCHEMBL4593434 0.74 TSHR (0.35) MAOAMAOBTAAR1TSHR
SCHEMBL63468 0.66 ALDH1A1 (0.67) KIF11TAAR1ALDH1A1TSHRIDO1
SCHEMBL1508480 0.65 ALDH1A1 (0.50) KIF11TAAR1ALDH1A1TSHRCES2
SCHEMBL1539075 0.65 TSHR (0.50) KIF11TAAR1ALDH1A1TSHRCES2
SCHEMBL4471260 0.65 ALDH1A1 (0.50) KIF11TAAR1ALDH1A1TSHRCES2
SCHEMBL10672363 0.65 ALDH1A1 (0.50) KIF11TAAR1ALDH1A1TSHRCES2
SCHEMBL11598948 0.65 ALDH1A1 (0.50) KIF11TAAR1ALDH1A1TSHRCES2
SCHEMBL5332141 0.64 MAOA (0.48) MAOAMAOBKDM1ASLC6A3KIF11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937257-A1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2008-07-02 EP claimed
WO-2007037685-A1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2007-04-05 WO claimed
EP-1937257-A1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2008-07-02 EP disclosed
WO-2007037685-A1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2007-04-05 WO disclosed