SCHEMBL9537242

SCHEMBL9537242

O=C(O)c1ccc(C(F)(F)F)cc1C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
TDP1 Q9NUW8 1/20 0.58
AKR1C3 P42330 1/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
SRD5A2 P31213 3/20 0.55
USP2 O75604 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2C8 P10632 1/20 0.51
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
MPO P05164 1/20 0.49
LTC4S Q16873 1/20 0.48
SORT1 Q99523 2/20 0.48
CNR2 P34972 2/20 0.48
P2RX1 P51575 1/20 0.47
CES2 O00748 1/20 0.47
TAS2R14 Q9NYV8 2/20 0.47
CNR1 P21554 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
SCHEMBL460066 0.84 KDM4E (0.69) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL3660770 0.83 SRD5A2 (0.51) KDM4EHSD17B10ALDH1A1HPGDSRD5A2
SCHEMBL5992479 0.83 CNR2 (0.55) KDM4EHSD17B10HPGDSRD5A2USP2
SCHEMBL1513062 0.83 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDSRD5A2
SCHEMBL30070755 0.83 CNR2 (0.55) KDM4EHSD17B10HPGDSRD5A2USP2
SCHEMBL5723651 0.83 TDP1 (0.82) KDM4ETDP1AKR1C3HSD17B10ALDH1A1
SCHEMBL29941444 0.83 SRD5A2 (0.51) KDM4EHSD17B10ALDH1A1HPGDSRD5A2
SCHEMBL3486347 0.83 MAPT (0.61) KDM4EHSD17B10ALDH1A1HPGDSRD5A2
SCHEMBL38533242 0.83 AKR1C3 (0.66) KDM4EAKR1C3HSD17B10ALDH1A1SRD5A2
SCHEMBL11751786 0.83 AKR1C3 (0.66) KDM4EAKR1C3HSD17B10ALDH1A1SRD5A2

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-0575425-A1 USE OF OXAZOLO- 2,3-a]ISOINDOLE AND IMIDAZO 2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO 2,3-a]ISOINDOLE DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1993-12-29 EP disclosed
WO-1992016207-A1 USE OF OXAZOLO-[2,3-a]ISOINDOLE AND IMIDAZO[2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO[2,3-a]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed