SCHEMBL7543902

SCHEMBL7543902

CN(c1ccc2c(c1)Nc1ccccc1S2)c1cccc2ccccc12.CNc1ccc2oc3ccc(NCc4ccccc4C)cc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
NOX1 Q9Y5S8 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALB P02768 1/20 0.30
MAOB P27338 1/20 0.30
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ELANE P08246 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
SCHEMBL7543908 0.88 NOX1 (0.39) GAAMAPTNOX1MEN1ALDH1A1
SCHEMBL7543905 0.81 EGFR (0.31) GAAMAPTNOX1MEN1ALDH1A1
SCHEMBL6528912 0.77 NOX1 (0.50) GAAMAPTNOX1MEN1ALDH1A1
SCHEMBL6483960 0.74 MAOB (0.45) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL6481927 0.73 NOX1 (0.54) GAAMAPTNOX1MEN1ALDH1A1
SCHEMBL6528320 0.72 EGFR (0.44) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL6528910 0.71 NOX1 (0.50) GAAMAPTNOX1MEN1ALDH1A1
SCHEMBL6481670 0.69 MAOB (0.46) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL6481920 0.65 EGFR (0.50) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL6491817 0.64 NOX1 (0.51) GAAMAPTNOX1MEN1ALDH1A1

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