SCHEMBL11275323

SCHEMBL11275323

Cn1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c2oc(C(=O)Nc3nnn[nH]3)cc(=O)c21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL11269598 0.87 PKM (0.41) GPR35CYP3A4CYP2C19PKMPOLB
SCHEMBL11264857 0.80 GPR35 (0.50) GPR35PKMPOLBMEN1KMT2A
SCHEMBL11284580 0.78 CSNK2A2 (0.39) CYP3A4CYP2C19POLBMEN1KMT2A
SCHEMBL11285888 0.76 POLB (0.40) POLBLMNAMAPT
SCHEMBL11273550 0.75 MAPT (0.39) GPR35POLBMAPT
SCHEMBL11270977 0.70 MAPT (0.40) CYP3A4CYP2C19POLBMEN1KMT2A
SCHEMBL11556463 0.69 MEN1 (0.49) GPR35CYP3A4CYP2C19PKMPOLB
SCHEMBL12892208 0.68 ALOX5 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL21093603 0.66 MAPT (0.51) GPR35CYP3A4POLBMEN1KMT2A
SCHEMBL11074319 0.65 CSNK2A2 (0.59) CYP3A4CYP2C19POLBMEN1KMT2A

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
US-4316904-A Indolopyrone tetrazoles and carboxamidotetrazoles having antiallergic activity WARNER-LAMBERT COMPANY 1982-02-23 US disclosed