SCHEMBL9862809

SCHEMBL9862809

O=C(O)Cc1ccnc2c1ccc1c(CC(=O)O)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
CYP1A2 P05177 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42

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
SCHEMBL17773818 0.90 CCR1 (0.58) MAPTKDM4ECYP1A2TDP1TSHR
SCHEMBL16361004 0.87 CCR1 (0.51) MAPTKDM4ECYP1A2TDP1TSHR
SCHEMBL27516187 0.81 TDP1 (0.47) MAPTKDM4ECYP1A2TDP1TSHR
SCHEMBL5456634 0.77 CYP1A2 (0.67) MAPTKDM4ECYP1A2TDP1LMNA
SCHEMBL9175645 0.77 CYP1A2 (0.50) MAPTKDM4ECYP1A2TDP1TSHR
SCHEMBL11972876 0.77 KDM4E (0.57) MAPTKDM4ECYP1A2TDP1LMNA
SCHEMBL28006255 0.76 CYP1A2 (0.54) MAPTKDM4ECYP1A2TDP1LMNA
Hydrochloric Acid SCHEMBL3805296 0.76 CYP1A2 (0.65) MAPTKDM4ECYP1A2TDP1LMNA
SCHEMBL27570979 0.75 SLC22A12 (0.48) MAPTKDM4ECYP1A2TDP1GABRP
SCHEMBL10157046 0.75 KDM4E (0.68) MAPTKDM4ECYP1A2TDP1TSHR

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
JP-3081264-A None JP disclosed
JP-H0381264-A PHENANTHROLINE DERIVATIVE, BIPYRIDYL DERIVATIVE AND ELECTROCHROMIC DISPLAY ELEMENT SANKYO SEIKI MFG CO LTD 1991-04-05 JP disclosed