SCHEMBL8088752

SCHEMBL8088752

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.35
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKR1B1 P15121 2/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
TLR3 O15455 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TERT O14746 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 0.93 ABCC9 (0.35) ABCC9GAAHIF1AALDH1A1L3MBTL1
SCHEMBL8088875 0.92 ABCC9 (0.34) ABCC9GAAHIF1AALDH1A1L3MBTL1
SCHEMBL8085038 0.88 MEN1 (0.37) ABCC9HIF1AALDH1A1L3MBTL1AKR1B1
SCHEMBL8085082 0.88 ABCC9 (0.45) ABCC9LMNA
SCHEMBL8085094 0.88 HSD17B10 (0.35) ABCC9HIF1AALDH1A1L3MBTL1AKR1B1
SCHEMBL8085122 0.87 SMN1; SMN2 (0.37) ABCC9GAAALDH1A1HTTLMNA
SCHEMBL8090522 0.86 ABCC9 (0.34) ABCC9HIF1AALDH1A1L3MBTL1AKR1B1
SCHEMBL8084422 0.85 TDP1 (0.34) ABCC9GAAHIF1AALDH1A1L3MBTL1
SCHEMBL8077027 0.85 ALDH1A1 (0.36) ABCC9HIF1AALDH1A1L3MBTL1AKR1B1
SCHEMBL8084307 0.82 ABCC9 (0.35) ABCC9GAAHIF1AALDH1A1L3MBTL1

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