SCHEMBL7346997

SCHEMBL7346997

O=C(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEP1B Q16820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL7351073 0.84 HDAC3 (0.44) MEN1KMT2AMAPK1HDAC3HDAC1
SCHEMBL7352468 0.82 HTT (0.44) MEN1KMT2AMAPK1HDAC3HDAC1
SCHEMBL13083453 0.80 KDM4E (0.49) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL7346155 0.77 L3MBTL1 (0.56) MEN1KMT2AMAPK1HDAC3HDAC1
SCHEMBL7345960 0.76 TMEM97 (0.54) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL7346214 0.76 KDM4E (0.50) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL8725187 0.72 KMT2A (0.59) MEN1KMT2AMAPK1HDAC3HDAC1
SCHEMBL7344617 0.71 HTT (0.44) MEN1KMT2AMAPK1HTTMEP1B
SCHEMBL6847922 0.70 L3MBTL1 (0.65) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL5146175 0.69 HDAC3 (0.62) MAPK1HDAC3HDAC1HDAC2HDAC8

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-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed