SCHEMBL11063759

SCHEMBL11063759

O=C(O)C(Oc1ccccc1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 3/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP3A4 P08684 2/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
STAT6 P42226 1/20 0.44
HIF1A Q16665 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALPL P05186 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL11035053 0.87 KDM4E (0.42) KDM4ELMNATSHRSLC6A3CYP3A4
SCHEMBL10629777 0.84 GSK3B (0.50) KDM4ELMNATSHRSLC6A3CYP3A4
SCHEMBL31435412 0.81 ALDH1A1 (0.39) KDM4ELMNATSHRSLC6A3CYP3A4
SCHEMBL24328857 0.81 ALDH1A1 (0.47) KDM4ELMNATSHRSLC6A3CYP3A4
SCHEMBL24327755 0.81 ALDH1A1 (0.47) KDM4ELMNATSHRSLC6A3CYP3A4
SCHEMBL5040505 0.81 ALDH1A1 (0.47) KDM4ELMNATSHRSLC6A3CYP3A4
SCHEMBL11872457 0.77 L3MBTL1 (0.49) KDM4EALDH1A1SMN1; SMN2TDP1CYP1A2
SCHEMBL27503970 0.77 ALDH1A1 (0.51) KDM4ELMNATSHRSLC6A3CYP3A4
SCHEMBL6825110 0.77 SLC6A3 (0.47) KDM4ELMNATSHRSLC6A3CYP3A4
SCHEMBL10656947 0.76 SLC6A2 (0.50) KDM4ELMNATSHRSLC6A3CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4475945-A Aminoglyoxyloitrile oximino carboxylic acid esters and thio esters for the protection of crops against injury by herbicides CIBA-GEIGY CORPORATION (US) 1984-10-09 US disclosed
US-4456468-A PLANT SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1984-06-26 US disclosed
US-4453969-A Thienylglyoxylonitrile oximino phenylcarbamates for the protection of crops against injury by herbicides CIBA-GEIGY CORPORATION (US) 1984-06-12 US disclosed
US-4453974-A TREATMENT OF SEEDS OR SEEDLINGS CIBA-GEIGY CORPORATION (US) 1984-06-12 US disclosed
US-4426221-A Oxime carbamates for the protection of cultivated crops CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed
US-4416686-A PLANT SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1983-11-22 US disclosed