SCHEMBL9347010

SCHEMBL9347010

O=[N+]([O-])c1ccc(COCc2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
AKR1C3 P42330 1/20 0.53
MAPT P10636 5/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP19A1 P11511 3/20 0.49
CRHBP P24387 1/20 0.49
HTT P42858 1/20 0.49
CRHR2 Q13324 1/20 0.49
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL37463 0.90 IDO1 (0.70) IDO1POLBAKR1C3MAPTLOXL2
SCHEMBL27167874 0.86 IDO1 (0.49) IDO1MEN1KMT2APOLBAKR1C3
SCHEMBL6141174 0.85 IDO1 (0.63) IDO1POLBAKR1C3MAPTLOXL2
SCHEMBL31634172 0.84 CA12 (0.66) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL12566978 0.84 CA12 (0.66) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL11441117 0.83 IDO1 (0.61) IDO1MEN1KMT2AAKR1C3MAPT
SCHEMBL7027123 0.83 IDO1 (0.61) IDO1POLBAKR1C3MAPTLOXL2
SCHEMBL19621588 0.83 IDO1 (0.61) IDO1MEN1KMT2AAKR1C3MAPT
SCHEMBL3861179 0.83 MEN1 (0.55) IDO1MEN1KMT2APOLBAKR1C3
SCHEMBL2759075 0.82 POLB (0.63) IDO1MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328643-B1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO CORP (JP) 1994-07-06 EP disclosed
US-5043142-A Measuring peroxide-active substances TERUMO KABUSHIKI KAISHA (JP) 1991-08-27 US disclosed
EP-0328643-A1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO KABUSHIKI KAISHA (JP) 1989-08-23 EP disclosed