SCHEMBL27735492

SCHEMBL27735492

CC1(C)Oc2cc([N+](=O)[O-])cc(Br)c2N(c2ccc(F)cc2)C1C=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ PMM2 O15305 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ PHOSPHO1 Q8TCT1 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 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
SCHEMBL27735501 0.88 POLB (0.34) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27756117 0.88 MAPK14 (0.34) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27756134 0.86 POLB (0.33) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27735513 0.86 PTGS1 (0.35) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27735516 0.85 PMM2 (0.32) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27756111 0.85 POLB (0.34) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27756112 0.84 HSD11B1 (0.34) HSD11B1
SCHEMBL27756110 0.74 ALDH1A1 (0.33) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL754189 0.74 NR3C2 (0.45) POLBPMM2MPIPHOSPHO1ALDH1A1
SCHEMBL27735498 0.73 HSD11B1 (0.34) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101379048-B Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP 2012-03-21 — — CN disclosed
CN-101379048-A Benzo  oxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 — — CN disclosed
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