SCHEMBL8686274

SCHEMBL8686274

FC(F)(F)c1ccc(OCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 1.00
HMOX1 P09601 1/20 0.68
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPK1 P28482 1/20 0.67
TBXAS1 P24557 7/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
LTA4H P09960 1/20 0.60
ATP4A P20648 1/20 0.60
ATP4B P51164 1/20 0.60
LMNA P02545 1/20 0.59

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
SCHEMBL8685446 0.93 NOS1 (1.00) NOS1HMOX1KDM4ETBXAS1MEN1
SCHEMBL13761576 0.85 MEN1 (0.86) NOS1KDM4EALDH1A1MAPK1TBXAS1
SCHEMBL13214748 0.80 NOS1 (0.67) NOS1KDM4EALDH1A1MAPK1TBXAS1
SCHEMBL8690248 0.80 KMT2A (0.83) NOS1KDM4EALDH1A1MAPK1TBXAS1
SCHEMBL76839 0.80 KDM4E (0.72) NOS1KDM4EALDH1A1MAPK1TBXAS1
SCHEMBL305632 0.80 ALDH1A1 (0.72) NOS1KDM4EALDH1A1MAPK1TBXAS1
SCHEMBL13246359 0.80 QPCT (0.85) NOS1KDM4EALDH1A1MAPK1TBXAS1
SCHEMBL8684965 0.80 MAPK1 (1.00) NOS1KDM4EALDH1A1MAPK1TBXAS1
SCHEMBL10785887 0.80 KDM4E (0.72) NOS1KDM4EALDH1A1MAPK1TBXAS1
SCHEMBL10370478 0.80 TBXAS1 (1.00) NOS1KDM4EALDH1A1MAPK1TBXAS1

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
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed