SCHEMBL7805694

SCHEMBL7805694

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
PIM1 P11309 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
APAF1 O14727 1/20 0.56
MITF O75030 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ELANE P08246 6/20 0.54
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
DUSP3 P51452 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TOP1 P11387 1/20 0.53
BACE1 P56817 2/20 0.51
CA1 P00915 1/20 0.49

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
SCHEMBL7805666 0.86 EGFR (0.54) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL7805708 0.86 EGFR (0.54) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL3417492 0.86 EGFR (0.76) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL8947495 0.84 EGFR (0.73) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL7792566 0.82 EGFR (0.71) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL28575370 0.82 MEN1 (0.72) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL612831 0.81 MAPT (0.74) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL10974170 0.81 EGFR (0.74) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL5816933 0.81 EGFR (0.64) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL23271965 0.79 ALDH1A1 (0.62) EGFRPIM1MEN1KMT2AALDH1A1

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-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