SCHEMBL8090522

SCHEMBL8090522

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(n2cc(Br)cc([N+](=O)[O-])c2=O)C1(C)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
AKR1B1 P15121 2/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PMM2 O15305 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HIF1A Q16665 1/20 0.31
CA1 P00915 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
SCHEMBL8090671 0.91 ABCC9 (0.35) ABCC9AKR1B1MAPTSMN1; SMN2LMNA
SCHEMBL8085038 0.91 MEN1 (0.37) ABCC9MEN1KMT2AAKR1B1MAPT
SCHEMBL8084422 0.89 TDP1 (0.34) ABCC9MEN1KMT2AAKR1B1MAPT
SCHEMBL8088707 0.88 ABCC9 (0.34) ABCC9MEN1KMT2AAKR1B1MAPT
SCHEMBL8088505 0.88 ABCC9 (0.42) ABCC9LMNAKDM4E
SCHEMBL8088752 0.86 ABCC9 (0.35) ABCC9MEN1KMT2AAKR1B1MAPT
SCHEMBL8090757 0.85 GAA (0.34) ABCC9MEN1KMT2AAKR1B1MAPT
SCHEMBL8088875 0.84 ABCC9 (0.34) ABCC9MEN1KMT2AAKR1B1MAPT
SCHEMBL8084404 0.84 ABCC9 (0.35) ABCC9MEN1KMT2AAKR1B1MAPT
SCHEMBL8085094 0.82 HSD17B10 (0.35) ABCC9MEN1KMT2AAKR1B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed