SCHEMBL9516574

SCHEMBL9516574

CC(C)C(C)/C(=C\C=C\C1CC1c1ccc(Br)c(Cl)c1)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.33
KDM1B Q8NB78 2/20 0.33
KCNH2 Q12809 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A3 Q01959 6/20 0.30
SLC6A4 P31645 5/20 0.30
F13A1 P00488 1/20 0.30
TGM2 P21980 1/20 0.30

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
SCHEMBL9515136 0.91 SLC9A1 (0.32) KDM1AKDM1BSLC6A3SLC6A4
SCHEMBL9516798 0.91 KDM1A (0.35) KDM1AKDM1BKCNH2
SCHEMBL9518888 0.88
SCHEMBL9518891 0.85 KDM1A (0.39) KDM1AKDM1BKCNH2SLC6A3SLC6A4
SCHEMBL9516658 0.80 SLC6A3 (0.33) SLC6A3SLC6A4
SCHEMBL9518871 0.79 SLC6A2 (0.39) SLC6A3SLC6A4
SCHEMBL9515194 0.78 SLC6A2 (0.34) KDM1ASLC6A3SLC6A4
SCHEMBL9515180 0.75 KMT2A (0.32) KMT2AHSD17B10MEN1LMNAHPGD
SCHEMBL9515177 0.75 KMT2A (0.32) KMT2AHSD17B10MEN1LMNAHPGD
SCHEMBL9516653 0.75 KMT2A (0.32) KMT2AHSD17B10MEN1LMNAHPGD

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
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed