SCHEMBL7267265

SCHEMBL7267265

C[CH]c1nc(-c2ccccc2)c(-c2ccccc2)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.46
CNR1 P21554 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
CASP1 P29466 2/20 0.39
BRCA1 P38398 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NSD3 Q9BZ95 1/20 0.39
USP2 O75604 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
SCHEMBL9725937 0.78 HPGD (0.50) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL7236770 0.78 NSD3 (0.50) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL11516631 0.76 KDM4E (0.51) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL822678 0.76 PTGER1 (0.56) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL4075651 0.74 KDM4E (0.50) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL23105432 0.71 FAAH (0.50) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL23105448 0.71 CNR1 (0.48) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL4080155 0.70 CNR1 (0.65) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL7265758 0.70 MAPK14 (0.62) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL18152791 0.69 FABP4 (0.46) ALDH1A1HPGDKDM4EHSD17B10TSHR

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-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP claimed
EP-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4808605-A Tetrahydronaphthalene derivatives as calcium antagonists HOFFMANN-LA ROCHE INC. (US) 1989-02-28 US disclosed
EP-0268148-A1 Tetrahydronaphthalene derivatives and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP disclosed