SCHEMBL11712759

SCHEMBL11712759

O=[N+]([O-])c1cc(C(c2ccccc2)S(=O)(=O)C(c2ccccc2)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 13/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC25A1 P53007 1/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL31067431 0.79 VCAM1 (0.54) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL9523568 0.79 VCAM1 (0.54) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL9524433 0.79 VCAM1 (0.50) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL6841323 0.73 VCAM1 (0.61) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL9886771 0.73 VCAM1 (0.55) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL20856478 0.73 VCAM1 (0.51) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL11868099 0.72 CRHBP (0.49) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL7785030 0.72 MAPT (0.56) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL4001670 0.72 VCAM1 (0.64) VCAM1MEN1KMT2ASLC25A1NPBWR1
SCHEMBL11848667 0.71 IDO1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4

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
US-4058408-A Bis-benzoxazolyl-naphthalenes as optical brighteners CIBA-GEIGY CORPORATION (US) 1977-11-15 US disclosed
US-3993659-A Bis-benzoxazolyl-naphthalenes as optical brighteners CIBA-GEIGY CORPORATION (US) 1976-11-23 US disclosed