SCHEMBL8537467

SCHEMBL8537467

O=[N+]([O-])c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.61
CRHR2 Q13324 3/20 0.61
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.59
TLR9 Q9NR96 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP2C19 P33261 3/20 0.55
NR3C1 P04150 1/20 0.53
CYP1A2 P05177 2/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
AR P10275 3/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTT P42858 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL18660114 0.93 CRHBP (0.58) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL627381 0.93 CRHBP (0.71) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL6607407 0.85 MAPT (0.58) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL5843018 0.84 CRHBP (0.64) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL11730575 0.83 CRHBP (0.68) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL11609601 0.83 CRHBP (0.58) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL3737073 0.83 KCNJ1 (0.51) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL6611918 0.83 CRHBP (0.88) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL3161760 0.81 CRHBP (0.65) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL16699713 0.81 CRHBP (0.65) CRHBPCRHR2ALDH1A1MEN1KMT2A

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
WO-2016115360-A1 C-MYC LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2016-07-21 WO disclosed
EP-0884311-A2 Triazole Derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1998-12-16 EP disclosed