SCHEMBL3207562

SCHEMBL3207562

Cc1cccc2nc(C(=O)[O-])ccc12.Cc1cccc2nc(C(=O)[O-])ccc12.Cc1cccc2nc(C(=O)[O-])ccc12.Cc1cccc2nc(C(=O)[O-])ccc12.[Zr+4]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
RECQL P46063 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
MGAM O43451 1/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE2A O00408 1/20 0.38
CBLB Q13191 1/20 0.38

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
SCHEMBL7629466 0.84 MGAM (0.56) ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13534722 0.79 MEN1 (0.47) ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3
Lithium Ion SCHEMBL5149555 0.77 MGAM (0.40) ALDH1A1SMN1; SMN2RAB9AMEN1NFKB1
SCHEMBL6201037 0.76 CYP1A2 (0.63) ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3
Lithium Ion SCHEMBL5151682 0.75 GRM2 (0.44) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2471847 0.74 KDM4E (0.41) ALDH1A1MAPTRAB9AGRM2L3MBTL1
Quinaldic Acid SCHEMBL16735544 0.73 MGAM (0.66) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
Zinc Ion SCHEMBL5685851 0.71 P2RX7 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL30641656 0.71 P2RX7 (0.56) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5540363 0.71 CYP1A2 (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100038632-A1 ELECTROLUMINESCENT DEVICE OLED-T LIMITED (GB) 2010-02-18 US claimed