SCHEMBL7937566

SCHEMBL7937566

COc1ccccc1Nc1nc(Nc2ccccc2OC)c2ncnc(Nc3ccccc3OC)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.52
LRRK2 Q5S007 1/20 0.51
EGFR P00533 2/20 0.50
HTT P42858 2/20 0.50
KHK P50053 1/20 0.49
ALK Q9UM73 1/20 0.47
ABL1 P00519 1/20 0.46
YES1 P07947 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DCLK1 O15075 1/20 0.46
USP2 O75604 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL7942523 0.85 MAPT (0.56) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11813903 0.77 MAPT (0.83) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL4922231 0.74 EGFR (0.52) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL10959841 0.73 HTT (0.59) MAPTKDM4EALDH1A1KMT2ATSHR
SCHEMBL9352009 0.72 AURKA (0.55) MAPTALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL655352 0.72 AURKA (0.77) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL7937469 0.72 EGFR (0.55) MAPTKDM4EALDH1A1KMT2ATSHR
SCHEMBL31620755 0.71 HTT (0.73) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL13434844 0.71 HTT (0.51) MAPTKDM4EALDH1A1KMT2ATSHR
SCHEMBL22543024 0.71 L3MBTL1 (0.61) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2

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-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed