SCHEMBL6470577

SCHEMBL6470577

COc1cc2nc(Nc3nc(O)c4cc(OCCO)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
TDP2 O95551 1/20 0.41
MAPT P10636 9/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
PSMD14 O00487 1/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PTK2B Q14289 1/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.41
RAB9A P51151 2/20 0.41
STAT3 P40763 1/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 3/20 0.41

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
Trifluoroacetic Acid SCHEMBL6467465 0.93 MAPT (0.39) NPSR1TDP2MAPTMEN1KMT2A
SCHEMBL6469542 0.88 NPSR1 (0.55) NPSR1TDP2MAPTMEN1KMT2A
SCHEMBL6468013 0.88 KDR (0.41) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6470079 0.87 NPSR1 (0.42) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6467995 0.86 FGFR2 (0.41) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6467884 0.86 MAPT (0.37) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6469518 0.86 FGFR2 (0.36) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6466263 0.85 MAPT (0.40) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6467438 0.85 FGFR2 (0.41) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6470209 0.84 MAPT (0.39) NPSR1TDP2MAPTMEN1KMT2A

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-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO disclosed