SCHEMBL27735501

SCHEMBL27735501

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PMM2 O15305 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ PHOSPHO1 Q8TCT1 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
SCHEMBL27756117 0.88 MAPK14 (0.34) POLBHSD11B1LMNAKMT2APMM2
SCHEMBL27735492 0.88 POLB (0.34) POLBHSD11B1MEN1LMNAKMT2A
SCHEMBL27756134 0.86 POLB (0.33) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27735513 0.86 PTGS1 (0.35) POLBHSD11B1MEN1LMNAHTT
SCHEMBL27756111 0.85 POLB (0.34) POLBHSD11B1LMNAHTTPMM2
SCHEMBL27735516 0.85 PMM2 (0.32) POLBHSD11B1MEN1KMT2APMM2
SCHEMBL27756110 0.74 ALDH1A1 (0.33) POLBHSD11B1LMNAHTTPMM2
SCHEMBL756166 0.74 NR3C2 (0.45) POLBMEN1LMNAHTTKMT2A
SCHEMBL27756112 0.73 HSD11B1 (0.34) HSD11B1
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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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