SCHEMBL9536952

SCHEMBL9536952

[c]1scc(-c2cccs2)c1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
TDO2 P48775 1/20 0.41
NPC1 O15118 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL10823971 0.79 KDM4E (0.48) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL5535359 0.78 KDM4E (0.37) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL9773303 0.78 KDM4E (0.37) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL7364550 0.78 LTA4H (0.39) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL8813597 0.74 KDM4E (0.33) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL3352373 0.74 MAPT (0.41) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL8812142 0.73 CHRM2 (0.38) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL8665476 0.72 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL22734783 0.69 KDM4E (0.44) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL3176511 0.68 LTA4H (0.40) KDM4EALDH1A1HSD17B10MAPTHPGD

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-0543930-A1 ARTHROPODICIDAL PYRAZOLINES, PYRAZOLIDINES AND HYDRAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-02 EP disclosed
WO-1992003421-A2 ARTHROPODICIDAL PYRAZOLINES, PYRAZOLIDINES AND HYDRAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 WO disclosed