SCHEMBL8690248

SCHEMBL8690248

COc1ccc(OCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.83
MEN1 O00255 2/20 0.83
ATM Q13315 1/20 0.83
ALDH1A1 P00352 2/20 0.77
KDM4E B2RXH2 2/20 0.77
MAPK1 P28482 1/20 0.72
TBXAS1 P24557 8/20 0.71
NOS1 P29475 1/20 0.67
QPCT Q16769 1/20 0.66
LTA4H P09960 1/20 0.65
LMNA P02545 2/20 0.64

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
SCHEMBL9786362 0.89 MEN1 (0.86) KMT2AMEN1ATMKDM4ENOS1
SCHEMBL13246359 0.87 QPCT (0.85) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8685444 0.84 ALDH1A1 (0.78) KMT2AALDH1A1KDM4EMAPK1TBXAS1
SCHEMBL76839 0.84 KDM4E (0.72) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL10785887 0.84 KDM4E (0.72) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL305632 0.84 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL8684965 0.84 MAPK1 (1.00) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL10370478 0.83 TBXAS1 (1.00) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL13761576 0.83 MEN1 (0.86) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL1369627 0.83 KDM4E (0.70) KMT2AMEN1ALDH1A1KDM4EMAPK1

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