SCHEMBL7543908

SCHEMBL7543908

CNc1ccc2oc3ccc(NCc4ccccc4C)cc3c2c1.c1ccc2c(c1)Nc1cc(NCc3cccc4ccccc34)ccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ELANE P08246 1/20 0.34
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL7543902 0.88 GAA (0.33) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL6528910 0.83 NOX1 (0.50) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL7543905 0.82 EGFR (0.31) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL6528320 0.82 EGFR (0.44) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6481927 0.81 NOX1 (0.54) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL6483960 0.80 MAOB (0.45) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL6481670 0.74 MAOB (0.46) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL6481920 0.74 EGFR (0.50) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL25913327 0.71 NOX1 (0.59) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL6494712 0.71 NOX1 (0.51) NOX1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO disclosed