SCHEMBL7805666

SCHEMBL7805666

COc1cccc2c1C(=O)C(N)=C(Br)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
PIM1 P11309 1/20 0.54
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.53
NSD2 O96028 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
APAF1 O14727 1/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
ELANE P08246 3/20 0.49
FGB P02675 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL7805708 0.94 EGFR (0.54) EGFRPIM1ALDH1A1MAPTRAB9A
SCHEMBL7805694 0.86 EGFR (0.60) EGFRPIM1ALDH1A1MAPTRAB9A
SCHEMBL3417492 0.80 EGFR (0.76) EGFRPIM1ALDH1A1MAPTRAB9A
SCHEMBL7812672 0.80 ALDH1A1 (0.60) ALDH1A1MAPTRAB9APOLBNPC1
SCHEMBL8947495 0.79 EGFR (0.73) EGFRPIM1ALDH1A1MAPTRAB9A
SCHEMBL10813504 0.78 ALDH1A1 (0.65) EGFRPIM1ALDH1A1MAPTRAB9A
SCHEMBL23271950 0.77 EGFR (0.54) EGFRPIM1ALDH1A1MAPTRAB9A
SCHEMBL30003222 0.77 EGFR (0.54) EGFRPIM1ALDH1A1MAPTRAB9A
SCHEMBL7792566 0.77 EGFR (0.71) EGFRPIM1ALDH1A1MAPTRAB9A
SCHEMBL10811289 0.77 EGFR (0.61) EGFRPIM1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876356-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-11-11 EP claimed
WO-1997021684-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA, SOCIETE ANONYME (FR) 1997-06-19 WO claimed
EP-0876356-B1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF INNOTHERA SA LAB (FR) 2001-10-31 EP disclosed
US-6262095-B1 TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA LABORATOIRE INNOTHERA (FR) 2001-07-17 US disclosed
EP-0876356-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-11-11 EP disclosed
WO-1997021684-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA, SOCIETE ANONYME (FR) 1997-06-19 WO disclosed