SCHEMBL27735508

SCHEMBL27735508

CC1(C)Oc2cc([N+](=O)[O-])ccc2N(c2ccccc2)C1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
PAX8 Q06710 1/20 0.35
FGFR1 P11362 1/20 0.35
GAA P10253 1/20 0.35
G6PD P11413 1/20 0.34
TLR9 Q9NR96 1/20 0.34
PHOSPHO1 Q8TCT1 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
SCHEMBL27756109 0.82 TNKS (0.34) MAPTSMN1; SMN2LMNAALDH1A1FGFR1
SCHEMBL27735510 0.81 CASP1 (0.43) L3MBTL1KMT2AMEN1MAPTLMNA
SCHEMBL27756121 0.81 ALDH1A1 (0.35) L3MBTL1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL27756119 0.80 TSHR (0.33) KMT2AMEN1SMN1; SMN2NPC1LMNA
SCHEMBL27735485 0.80 NFE2L2 (0.40) L3MBTL1PKMKMT2AMEN1MAPT
SCHEMBL27735499 0.80 MAPT (0.33) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL27735521 0.79 WDR5 (0.39) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL2265909 0.76 HTT (0.42) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL27735505 0.76 NPC1 (0.32) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL755449 0.72 ALDH1A1 (0.45) L3MBTL1PKMKMT2AMEN1MAPT

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