SCHEMBL11030748

SCHEMBL11030748

Cc1cc([N+](=O)[O-])ccc1Oc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
PTGES O14684 1/20 0.50
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
PIN1 Q13526 1/20 0.47
HSPB1 P04792 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 2/20 0.46
TBXA2R P21731 2/20 0.45
CYP3A4 P08684 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL28370214 0.85 KMT2A (0.46) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL28370148 0.85 STK39 (0.53) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL22966296 0.85 TBXA2R (0.56) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL10961730 0.84 TDP1 (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL27713193 0.84 HSPB1 (0.66) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL27919931 0.84 ALOX5 (0.60) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL9185260 0.83 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6237528 0.83 KMT2A (0.65) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL11028620 0.82 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL80618 0.81 PIN1 (0.53) ALOX5ALDH1A1MAPTMEN1KMT2A

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
US-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed
EP-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed