SCHEMBL7815043

SCHEMBL7815043

COc1cccc2c1C(=O)c1nc(-c3ccco3)sc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 4/20 0.43
POLB P06746 3/20 0.43
HIF1A Q16665 2/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2B P29275 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
EGFR P00533 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL7813039 0.95 ALDH1A1 (0.43) ALDH1A1HPGDPOLBHIF1ARECQL
SCHEMBL7815082 0.85 ADORA2A (0.41) ALDH1A1POLBRAB9ASMN1; SMN2NPC1
SCHEMBL7813200 0.83 MAOA (0.44) ALDH1A1HPGDPOLBHIF1ARECQL
SCHEMBL7811756 0.82 IDO1 (0.41) ALDH1A1POLBADORA3ADORA2AADORA1
SCHEMBL7812573 0.81 IDO1 (0.53) ALDH1A1RAB9ASMN1; SMN2ADORA2AADORA1
SCHEMBL7816639 0.80 IDO1 (0.57) ALDH1A1HPGDPOLBRECQLADORA3
SCHEMBL7805852 0.80 ADORA2A (0.41) ALDH1A1POLBRAB9ASMN1; SMN2NPC1
SCHEMBL7805503 0.79 MAOA (0.44) ALDH1A1HPGDPOLBHIF1ARECQL
SCHEMBL7805489 0.78 IDO1 (0.41) ALDH1A1HPGDPOLBRECQLADORA2A
SCHEMBL7813122 0.77 RAB9A (0.46) ALDH1A1HPGDPOLBRECQLRAB9A

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 3 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 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