SCHEMBL7543905

SCHEMBL7543905

CNc1ccc2oc3ccc(NCc4ccccc4C)cc3c2c1N(Cc1cccc2ccccc12)c1ccc2c(c1)Nc1ccccc1S2

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
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 0.82 NOX1 (0.39) EGFRIGF1RFLT4KDRMEN1
SCHEMBL7543902 0.81 GAA (0.33) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL6528910 0.71 NOX1 (0.50) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL6481927 0.71 NOX1 (0.54) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL6528320 0.66 EGFR (0.44) EGFRIGF1RFLT4KDRMEN1
SCHEMBL6483960 0.66 MAOB (0.45) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL6481670 0.65 MAOB (0.46) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL6494144 0.64 NOX1 (0.50) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL6481920 0.63 EGFR (0.50) EGFRIGF1RFLT4KDRMEN1
SCHEMBL6491817 0.62 NOX1 (0.51) MEN1ALDH1A1LMNAGAAMAPT

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