SCHEMBL9428488

SCHEMBL9428488

CCCCCCC(Oc1ccc(N)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4D Q08499 1/20 0.36
SLC7A5 Q01650 6/20 0.35
CSNK1E P49674 1/20 0.33
MAOB P27338 1/20 0.33
NR5A1 Q13285 1/20 0.33
MAPK1 P28482 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL9427802 0.85 SLC2A1 (0.36) SLC2A1SLC7A5NR5A1
SCHEMBL9850659 0.85 SLC2A1 (0.36) SLC2A1SLC7A5NR5A1
SCHEMBL10430533 0.82 PRSS1 (0.44)
SCHEMBL9428394 0.81 MGLL (0.44) SLC2A1ALDH1A1TSHRLMNAGRM2
SCHEMBL9428139 0.81 RARB (0.49) SLC2A1ALDH1A1TSHRCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9428095 0.81 PRSS1 (0.46)
SCHEMBL9850602 0.79 KDM4E (0.36) SLC2A1NPC1MAPTRAB9AALDH1A1
SCHEMBL9427950 0.79 MGLL (0.47) NPC1MAPTRAB9AALDH1A1TSHR
SCHEMBL9850763 0.79 MGLL (0.47) NPC1MAPTRAB9AALDH1A1TSHR
SCHEMBL25283342 0.79 SLC2A1 (0.44) SLC2A1NPC1MAPTRAB9AALDH1A1

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
US-5290478-A Nitrile containing naphthylene compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-01 US disclosed
EP-0385692-B1 OPTCALLY ACTIVE COMPOUNDS SANYO CHEMICAL INDUSTRIES LTD. (JP) 1993-10-06 EP disclosed
US-5160662-A Improved response times SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-03 US disclosed
EP-0385692-A2 Optcally active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1990-09-05 EP disclosed