SCHEMBL4750907

SCHEMBL4750907

O=[N+]([O-])c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
PKM P14618 3/20 0.58
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
RAB9A P51151 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CRHBP P24387 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4033959 0.86 MAPT (0.66) CTSBKMT2AMEN1MAPTALDH1A1
SCHEMBL4748494 0.86 CTSB (0.55) CTSBKMT2AMEN1PKMMAPT
SCHEMBL18343631 0.86 CTSB (0.55) CTSBKMT2AMEN1PKMMAPT
SCHEMBL14247753 0.86 CTSB (0.61) CTSBKMT2AMEN1PKMMAPT
SCHEMBL7322890 0.85 CTSB (0.66) CTSBKMT2AMEN1PKMMAPT
SCHEMBL17327480 0.84 MEN1 (0.49) CTSBKMT2AMEN1PKMMAPT
SCHEMBL9538655 0.83 CTSB (0.58) CTSBKMT2AMEN1PKMMAPT
SCHEMBL3708321 0.79 MAOA (0.63) CTSBKMT2AMEN1MAPTLMNA
SCHEMBL9395569 0.79 MAPT (0.72) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL18547825 0.78 CTSB (0.61) CTSBKMT2APKMMAPTALDH1A1

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-2008134354-A1 TNF-α PRODUCTION INHIBITOR ARRAY BIOPHARMA, INC. (US) 2008-11-06 WO disclosed