SCHEMBL3208190

SCHEMBL3208190

CC1(C(=O)[O-])C=Cc2ccccc2N1.CC1(C(=O)[O-])C=Cc2ccccc2N1.CC1(C(=O)[O-])C=Cc2ccccc2N1.CC1(C(=O)[O-])C=Cc2ccccc2N1.[Zr+4]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 1/20 0.34
P2RX4 Q99571 1/20 0.34
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
TGM2 P21980 1/20 0.30
HTT P42858 1/20 0.30
IDO1 P14902 1/20 0.30

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
Lithium Ion SCHEMBL984533 0.97 MAPT (0.38) MAPTGAASMN1; SMN2RAB9AP2RX4
SCHEMBL984966 0.83 MAPT (0.41) MAPTGAASMN1; SMN2RAB9AP2RX4
SCHEMBL8321058 0.74 THRB (0.30)
SCHEMBL9217708 0.74 THRB (0.30)
SCHEMBL1155361 0.74 THRB (0.30)
Lithium Ion SCHEMBL30093254 0.74 THRB (0.30)
SCHEMBL9268300 0.72 ALDH1A1 (0.48) MAPTSMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL1155647 0.72
SCHEMBL1285713 0.72 MAPT (0.46) MAPTGAASMN1; SMN2RAB9AP2RX4
SCHEMBL2255782 0.71 MAPT (0.50) MAPTGAASMN1; SMN2RAB9AP2RX4

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