SCHEMBL6938254

SCHEMBL6938254

O=Cc1ccc[nH]1.O=Cc1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 2/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 4/20 0.34
ALOX5 P09917 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
LMNA P02545 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL7021 0.82
SCHEMBL28801067 0.80
Hydrochloric Acid SCHEMBL28784548 0.80
Ammonia Solution, Strong SCHEMBL19514814 0.80
Phosphine SCHEMBL28132047 0.80
SCHEMBL28158233 0.80
Hydrochloric Acid SCHEMBL8957340 0.80
SCHEMBL10141196 0.80
SCHEMBL19596 0.80
SCHEMBL10141206 0.80

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-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-0777703-B1 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNGIN SYNTHETIC CORP (KR) 2003-06-25 EP disclosed