SCHEMBL9515136

SCHEMBL9515136

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
SLC6A3 Q01959 6/20 0.30
SLC6A4 P31645 5/20 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
SCHEMBL9516574 0.91 KDM1A (0.33) KDM1AKDM1BSLC6A3SLC6A4
SCHEMBL9516798 0.91 KDM1A (0.35) SLC9A1KDM1AKDM1B
SCHEMBL9518888 0.85
SCHEMBL9518891 0.85 KDM1A (0.39) KDM1AKDM1BSLC6A3SLC6A4
SCHEMBL9516658 0.80 SLC6A3 (0.33) SLC6A3SLC6A4
SCHEMBL9518871 0.79 SLC6A2 (0.39) SLC6A3SLC6A4
SCHEMBL9515194 0.78 SLC6A2 (0.34) KDM1ASLC6A3SLC6A4
SCHEMBL9515140 0.75 SLC6A3 (0.31) SLC6A3SLC6A4
SCHEMBL9580467 0.75 SLC6A3 (0.31) SLC6A3SLC6A4
SCHEMBL9516755 0.75 SLC6A3 (0.31) SLC6A3SLC6A4

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