SCHEMBL10993460

SCHEMBL10993460

O=C(Cl)c1cccc2c(=O)cc(-c3ccc(F)cc3)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.59
CYP1A2 P05177 7/20 0.59
CYP1B1 Q16678 7/20 0.59
XDH P47989 1/20 0.59
CYSLTR1 Q9Y271 2/20 0.56
GABRP O00591 4/20 0.55
GABRD O14764 4/20 0.55
GABRA1 P14867 4/20 0.55
GABRB1 P18505 4/20 0.55
GABRG2 P18507 4/20 0.55
GABRB3 P28472 4/20 0.55
GABRA5 P31644 4/20 0.55
GABRA3 P34903 4/20 0.55
GABRA2 P47869 4/20 0.55
GABRB2 P47870 4/20 0.55
GABRA4 P48169 4/20 0.55
GABRE P78334 4/20 0.55
GABRA6 Q16445 4/20 0.55
GABRG1 Q8N1C3 4/20 0.55
GABRG3 Q99928 4/20 0.55

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
SCHEMBL10991389 0.88 CYP1A1 (0.60) CYP1A1CYP1A2CYP1B1XDHCYSLTR1
SCHEMBL10995973 0.88 CYSLTR1 (0.71) CYP1A1CYP1A2CYP1B1XDHCYSLTR1
SCHEMBL10995137 0.88 CYSLTR1 (0.63) CYP1A1CYP1A2CYP1B1CYSLTR1GABRP
Hydrochloric Acid SCHEMBL10993466 0.87 CYSLTR1 (0.70) CYP1A1CYP1A2CYP1B1XDHCYSLTR1
SCHEMBL10987004 0.87 CYSLTR1 (0.56) CYP1A1CYP1A2CYP1B1CYSLTR1TNKS
SCHEMBL10987884 0.84 CYSLTR1 (0.62) CYP1A1CYP1A2CYP1B1CYSLTR1GABRP
SCHEMBL10994082 0.83 TNKS (0.58) CYSLTR1GABRPGABRDGABRA1GABRB1
SCHEMBL10988521 0.82 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1CYSLTR1GABRP
SCHEMBL10992543 0.81 TP53 (0.54) CYP1A1CYP1A2CYP1B1CYSLTR1PRKDC
SCHEMBL2149390 0.80 CYP1A2 (0.64) CYP1A1CYP1A2CYP1B1CYSLTR1PRKDC

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-4525356-A UROGENITAL DISORDERS HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
EP-0108986-A1 N-substituted flavone-8-carboxamides Hokuriku Pharmaceutical Co.,Ltd (JP) 1984-05-23 EP disclosed