SCHEMBL7086378

SCHEMBL7086378

O=[N+]([O-])c1ccc([N]c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPK1 P28482 4/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
CRHBP P24387 1/20 0.53
ATM Q13315 1/20 0.53
CRHR2 Q13324 1/20 0.53
TLR9 Q9NR96 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
NPC1 O15118 2/20 0.53

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
SCHEMBL3173958 0.91 PLAU (0.59) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL270426 0.87 MEN1 (0.66) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL29588234 0.87 MEN1 (0.66) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL270425 0.87 MEN1 (0.66) ALDH1A1LMNAMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL28545676 0.85 MEN1 (0.64) ALDH1A1LMNAMEN1KMT2AMAPK1
Methane SCHEMBL5133892 0.85 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL6985448 0.82 TSHR (0.59) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL887522 0.82 MEN1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPK1
Nitrobenzene SCHEMBL7748458 0.81 ALDH1A1 (0.94) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL5830715 0.81 ACHE (0.75) ALDH1A1LMNAMAPK1MAPTRAB9A

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
WO-2003068736-A2 MIXED STEROIDAL 1,2,4,5-TETRAOXANE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2003-08-21 WO disclosed