SCHEMBL11269598

SCHEMBL11269598

Cn1c2ccc([N+](=O)[O-])cc2c2oc(C(=O)Nc3nnn[nH]3)cc(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
GPR35 Q9HC97 2/20 0.36
MAPT P10636 6/20 0.36
APOBEC3G Q9HC16 1/20 0.34
APOBEC3B Q9UH17 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
F2RL3 Q96RI0 2/20 0.33
LMNA P02545 1/20 0.33
F2R P25116 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11275323 0.87 GPR35 (0.33) PKMGPR35MAPTPOLBMEN1
SCHEMBL11285888 0.86 POLB (0.40) MAPTPOLBNPC1RAB9ALMNA
SCHEMBL11273550 0.85 MAPT (0.39) EGFRGPR35MAPTPOLB
SCHEMBL11284580 0.84 CSNK2A2 (0.39) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL11276735 0.79 GPR35 (0.47) PKMEGFRSRCGPR35MAPT
SCHEMBL11270977 0.73 MAPT (0.40) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL11558528 0.67 CYP3A4 (0.51) PKMEGFRSRCMAPTPOLB
SCHEMBL11559483 0.67 MEN1 (0.52) PKMEGFRSRCMAPTNPC1
SCHEMBL10370941 0.67 MPO (0.51) MAPTAPOBEC3GPOLBNPC1RAB9A
SCHEMBL11074319 0.66 CSNK2A2 (0.59) MAPTPOLBNPC1RAB9AMEN1

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