SCHEMBL4593447

SCHEMBL4593447

FC(F)Oc1ccccc1C1(C(Cl)(Cl)C2(c3ccccc3OC(F)F)N=NN=N2)N=NN=N1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.32
TNF P01375 1/20 0.31
ULK1 O75385 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.30
LRRK2 Q5S007 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4592883 0.76 RIPK1 (0.39) ALDH1A1KMT2A
SCHEMBL4593785 0.71 TSHR (0.35)
SCHEMBL4593846 0.69 HTR2A (0.33)
SCHEMBL4654255 0.66 DRD1 (0.48) DRD1ALDH1A1KMT2ASLC22A12ALOX12
SCHEMBL4593434 0.66 TSHR (0.35)
SCHEMBL10910618 0.65 DRD1 (0.39) DRD1ULK1ALDH1A1KMT2ALRRK2
SCHEMBL4593190 0.63 SLC6A3 (0.33)
SCHEMBL8047355 0.62 ALDH1A1 (0.50) DRD1ALDH1A1KMT2ALRRK2ALOX12
SCHEMBL1434466 0.61 SLC6A2 (0.43) DRD1TNFALDH1A1KMT2AHTT
SCHEMBL9356351 0.60 SLC6A4 (0.40) TNFKMT2A

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
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