SCHEMBL8084404

SCHEMBL8084404

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(n2cccc([N+](=O)[O-])c2=O)C1(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
AKR1B1 P15121 2/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
ELANE P08246 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
GPR35 Q9HC97 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8088718 0.90 HIF1A (0.38) ABCC9KMT2AMEN1HIF1AALDH1A1
SCHEMBL8084939 0.89 ABCC9 (0.35) ABCC9KMT2AMEN1HIF1AALDH1A1
SCHEMBL8088491 0.89 ALDH1A1 (0.36) ABCC9KMT2AMEN1HIF1AALDH1A1
SCHEMBL8088852 0.87 ABCC9 (0.43) ABCC9
SCHEMBL8084968 0.87 HTT (0.37) ABCC9KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8084588 0.87 KMT2A (0.39) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL8085038 0.86 MEN1 (0.37) ABCC9KMT2AMEN1HIF1AALDH1A1
SCHEMBL7269286 0.86 KMT2A (0.38) KMT2AMEN1HIF1AALDH1A1MAPT
SCHEMBL8084314 0.85 RECQL (0.43) ABCC9KMT2AHIF1AALDH1A1L3MBTL1
SCHEMBL8084249 0.85 HIF1A (0.35) ABCC9KMT2AMEN1HIF1AALDH1A1

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 4 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