SCHEMBL8090671

SCHEMBL8090671

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.35
HIF1A Q16665 1/20 0.33
AKR1B1 P15121 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PITRM1 Q5JRX3 1/20 0.31

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
SCHEMBL8088752 0.93 ABCC9 (0.35) ABCC9HIF1AAKR1B1GAALMNA
SCHEMBL8088875 0.91 ABCC9 (0.34) ABCC9HIF1AAKR1B1GAALMNA
SCHEMBL8090522 0.91 ABCC9 (0.34) ABCC9HIF1AAKR1B1LMNAMAPT
SCHEMBL8084422 0.90 TDP1 (0.34) ABCC9HIF1AAKR1B1GAALMNA
SCHEMBL8085122 0.86 SMN1; SMN2 (0.37) ABCC9GAALMNAMAPTHTT
SCHEMBL8090757 0.86 GAA (0.34) ABCC9AKR1B1GAAMAPTHTT
SCHEMBL8085038 0.83 MEN1 (0.37) ABCC9HIF1AAKR1B1MAPTSMN1; SMN2
SCHEMBL8085094 0.82 HSD17B10 (0.35) ABCC9HIF1AAKR1B1LMNAMAPT
SCHEMBL8077027 0.82 ALDH1A1 (0.36) ABCC9HIF1AAKR1B1LMNAMAPT
SCHEMBL8085082 0.82 ABCC9 (0.45) ABCC9LMNA

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