SCHEMBL3264394

SCHEMBL3264394

Fc1[nH]c2ccccc2c1/C=C/c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
PSMD14 O00487 1/20 0.46
CYP2D6 P10635 2/20 0.45
PLK4 O00444 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
AURKB Q96GD4 1/20 0.45
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALPG P10696 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL18160331 0.83 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1PSMD14
SCHEMBL18157762 0.80 ALK (0.50) MAPTMEN1KMT2AL3MBTL1PSMD14
SCHEMBL28266883 0.75 MAPT (0.50) MAPTMEN1KMT2ACYP2D6CYP3A4
SCHEMBL31157158 0.75 MAPT (0.50) MAPTMEN1KMT2ACYP2D6CYP3A4
SCHEMBL20225455 0.75 CYP11B1 (0.51) MAPTMEN1KMT2AL3MBTL1PSMD14
SCHEMBL11953116 0.71 MAPT (0.48) MAPTMEN1KMT2ACYP2D6CYP3A4
SCHEMBL30159432 0.71 HSP90AA1 (0.42) MAPTMEN1KMT2ACYP2D6CYP3A4
SCHEMBL18132168 0.71 AHR (0.47) MAPTMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL18160168 0.70 ALDH1A1 (0.51) MAPTMEN1KMT2AL3MBTL1CYP2D6
SCHEMBL13907337 0.69 MAPT (0.54) MAPTMEN1KMT2ACYP2D6CYP3A4

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
WO-2010008427-A1 TRYPTOPHAN CATABOLISM IN CANCER TREATMENT AND DIAGNOSIS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2010-01-21 WO disclosed