SCHEMBL6554455

SCHEMBL6554455

CCOC(=O)N(Br)c1ccc(CCCCBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
CYP4Z1 Q86W10 2/20 0.42
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
ALOX5 P09917 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PLA2G1B P04054 4/20 0.38
ATG4B Q9Y4P1 4/20 0.38
RARB P10826 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6405545 0.96 CYP4Z1 (0.41) THRATHRBCYP4Z1CYP4F11CYP4F12
SCHEMBL6406595 0.89 CYP4A11 (0.47) THRATHRBCYP4Z1CYP4F11CYP4F12
SCHEMBL6404151 0.87 CYP4A11 (0.46) CYP4Z1CYP4F11CYP4F12ALOX5CYP4F2
SCHEMBL6394479 0.77 CA12 (0.56) THRATHRBCYP4F2CYP4A11TDP1
SCHEMBL28564755 0.76 CYP4Z1 (0.49) THRATHRBCYP4Z1CYP4F11CYP4F12
SCHEMBL9869627 0.75 ALDH1A1 (0.50) GAACYP1A2
SCHEMBL3056656 0.74 CA12 (0.56) THRATHRBCYP4F2CYP4A11TDP1
SCHEMBL6404492 0.73 ALDH1A1 (0.41) THRATHRBALOX5MAPK1
SCHEMBL8879300 0.73 CYP4Z1 (0.59) THRATHRBCYP4Z1CYP4F11CYP4F12
SCHEMBL5755875 0.71 HPGD (0.44) THRATHRBPLA2G1BATG4BRARB

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
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO disclosed