SCHEMBL6967609

SCHEMBL6967609

COC(c1cc(C)no1)c1ccccc1C=NO

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ FGF23 Q9GZV9 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6967604 1.00 HPGD (0.37) HPGDMAPTLMNAHTTFGF23
SCHEMBL6960418 0.83 ALDH1A1 (0.35) LMNAALDH1A1MEN1KMT2AUSP2
SCHEMBL6954301 0.80 — —
SCHEMBL6963970 0.75 KMT2A (0.36) ALDH1A1MEN1KMT2AMAPK1USP2
SCHEMBL8481675 0.68 HPGD (0.34) HPGDMAPTLMNAHTTFGF23
SCHEMBL6966623 0.66 KMT2A (0.34) ALDH1A1MEN1KMT2A
SCHEMBL14931402 0.65 GABRA1 (0.45) HPGDMAPTLMNAHTTFGF23
SCHEMBL14931403 0.65 GABRA1 (0.45) HPGDMAPTLMNAHTTFGF23
SCHEMBL28242379 0.62 LMNA (0.43) HPGDMAPTLMNAHTTFGF23
SCHEMBL10879139 0.60 FGF23 (0.40) HPGDMAPTLMNAHTTFGF23

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-0889033-B1 ALPHA-SUBSTITUTED BENZYL HETEROCYCLIC DERIVATIVES, INTERMEDIATES FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO (JP) 2003-01-08 — — EP disclosed
US-6329371-B1 HERBICIDES OR FUNGICIDES SHIONOGI & CO., LTD. (JP) 2001-12-11 — — US disclosed
US-6136837-A α-substituted benzyl heterocyclic derivatives, intermediates for producing the same and agrochemical composition containing the same as active ingredient SHIONOGI & CO., LTD. (JP) 2000-10-24 — — US disclosed
EP-0889033-A1 ALPHA-SUBSTITUTED BENZYL HETEROCYCLIC DERIVATIVES, INTERMEDIATES FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1999-01-07 — — EP disclosed
Send feedback