SCHEMBL7345491

SCHEMBL7345491

OC(CCNCc1ccccc1)c1ccc(F)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
MPO P05164 5/20 0.39
SLC6A4 P31645 1/20 0.39
MAOA P21397 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL7354294 0.84 KMT2A (0.44) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7352348 0.82 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7354606 0.77 MEN1 (0.60) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7351720 0.76 KMT2A (0.41) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7344617 0.76 HTT (0.44) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL7348229 0.76 SLC6A4 (0.43) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7352736 0.76 CHRM2 (0.44) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7356102 0.75 CYP3A4 (0.37) KDM4ETDP1SLC6A4NPSR1MAPT
SCHEMBL7346214 0.71 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2798356 0.71 POLB (0.60) MEN1KMT2AKDM4EALDH1A1POLB

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