SCHEMBL7805503

SCHEMBL7805503

O=C1c2cccc(O)c2C(=O)c2sc(-c3ccco3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAOB P27338 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
IDO1 P14902 7/20 0.41
TDO2 P48775 4/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL7813200 0.95 MAOA (0.44) MAOAALDH1A1MAPTTSHRTDP1
SCHEMBL7805852 0.86 ADORA2A (0.41) ALDH1A1MAPTALOX15HSD17B10SMN1; SMN2
SCHEMBL7805489 0.86 IDO1 (0.41) ALDH1A1MAPTTDP1ALOX15HSD17B10
SCHEMBL7816639 0.84 IDO1 (0.57) ALDH1A1MAPTTSHRTDP1ALOX15
SCHEMBL7813039 0.83 ALDH1A1 (0.43) ALDH1A1MAPTTDP1HSD17B10LMNA
SCHEMBL7811756 0.81 IDO1 (0.41) ALDH1A1MAPTALOX15HSD17B10MAOB
SCHEMBL7815082 0.81 ADORA2A (0.41) ALDH1A1MAPTALOX15HSD17B10SMN1; SMN2
SCHEMBL7815358 0.79 IDO1 (0.58) MAOAALDH1A1MAPTTSHRTDP1
SCHEMBL7815043 0.79 ALDH1A1 (0.43) ALDH1A1MAPTTDP1HSD17B10LMNA
SCHEMBL7813184 0.74 IDO1 (0.43) ALDH1A1MAPTTSHRALOX15HSD17B10

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 2 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
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