SCHEMBL5367989

SCHEMBL5367989

CN1CCN(Cc2c(CSF)[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
SIRT1 Q96EB6 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR6 P50406 2/20 0.39
MPO P05164 1/20 0.39
PPARG P37231 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38

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
SCHEMBL5371032 0.89 ALDH1A1 (0.47) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL5379284 0.88 ALDH1A1 (0.46) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL5370125 0.87 MPO (0.53) ALDH1A1POLBKDM4EHSD17B10HTR6
SCHEMBL5371789 0.86 HSD17B10 (0.46) ALDH1A1POLBKMT2AKDM4EPIM1
SCHEMBL5334148 0.84 POLB (0.44) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL5378982 0.84 KDM4E (0.49) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL945973 0.80 ALDH1A1 (0.65) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL5370003 0.79 MPO (0.52) ALDH1A1POLBKDM4EMPOPPARG
SCHEMBL5328593 0.78 ALDH1A1 (0.46) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL5333836 0.77 HTR6 (0.52) ALDH1A1POLBMEN1KMT2AHTR6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO disclosed