SCHEMBL8085350

SCHEMBL8085350

CC(=O)Nc1cc(Br)cn(C2c3cc([N+](=O)[O-])ccc3OC(C)(C)C2O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.46
SMN1; SMN2 Q16637 2/20 0.37
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
KCNJ8 Q15842 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
CFTR P13569 1/20 0.34

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
SCHEMBL8084911 0.89 ABCC9 (0.46) ABCC9SMN1; SMN2
SCHEMBL8084452 0.86 ABCC9 (0.49) ABCC9SMN1; SMN2ABCC8KCNJ11KCNJ8
SCHEMBL8085107 0.85 ABCC9 (0.44) ABCC9SMN1; SMN2GAA
SCHEMBL8085157 0.85 ABCC9 (0.47) ABCC9SMN1; SMN2CYP19A1ABCC8KCNJ11
SCHEMBL8090098 0.85 ABCC9 (0.48) ABCC9SMN1; SMN2ABCC8KCNJ11KCNJ8
SCHEMBL8090533 0.84 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8083856 0.84 ABCC9 (0.47) ABCC9SMN1; SMN2ABCC8KCNJ11KCNJ8
SCHEMBL8090757 0.83 GAA (0.34) ABCC9SMN1; SMN2CYP19A1GAACYP1A2
SCHEMBL8084258 0.82 ABCC9 (0.44) ABCC9SMN1; SMN2GAALMNA
SCHEMBL8085123 0.81 ABCC9 (0.45) ABCC9SMN1; SMN2GAALMNA

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
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed