SCHEMBL5998477

SCHEMBL5998477

N#Cc1ccc(N(c2ccc([N+](=O)[O-])cc2)n2ccnc2)cc1.N#Cc1ccc(N(c2ccccc2)n2ccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
CYP19A1 P11511 10/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
STS P08842 1/20 0.37
NPC1 O15118 1/20 0.36
TNNI3 P19429 1/20 0.36
MAPK1 P28482 1/20 0.36
TNNT2 P45379 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5442082 0.95 CYP19A1 (0.43) KMT2AMEN1CYP19A1KCNJ1KCNH2
SCHEMBL5439431 0.88 CYP19A1 (0.46) CYP19A1STS
SCHEMBL5988376 0.86 MAPT (0.39) KMT2AMEN1ABCG2CYP19A1KCNJ1
SCHEMBL8445502 0.80 CYP19A1 (0.46) CYP19A1KCNJ1KCNH2MAPTTHRB
SCHEMBL5994566 0.76 CYP19A1 (0.51) CYP19A1STS
SCHEMBL5441196 0.76 CYP19A1 (0.46) CYP19A1MAPTSTS
SCHEMBL10275185 0.75 CYP19A1 (0.47) KMT2AMEN1L3MBTL1CYP19A1MAPT
SCHEMBL28758181 0.73 CYP19A1 (0.42) ALDH1A1L3MBTL1CYP19A1STS
SCHEMBL5993542 0.73 CYP19A1 (0.56) CYP19A1STS
Fluoride SCHEMBL7482603 0.72 CYP19A1 (0.43) KMT2AMEN1ALDH1A1ATML3MBTL1

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-1694650-A1 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2006-08-30 EP disclosed
WO-2005058842-A1 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2005-06-30 WO disclosed