SCHEMBL29953089

SCHEMBL29953089

[C-]#[N+]c1cc(Cl)c(F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 2/20 0.31

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
SCHEMBL13303836 0.77 KDM1A (0.41) KDM1AKDM1B
SCHEMBL1397113 0.74 KDM1A (0.44) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL30214380 0.74 AHR (0.44) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL8458346 0.74 AHR (0.44) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL31070107 0.74 KDM1A (0.44) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL29952785 0.71 TSHR (0.39) ALDH1A1TDP1
SCHEMBL10020740 0.70 AHR (0.35)
SCHEMBL23539570 0.69 KDM1A (0.48) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL17543931 0.69 AHR (0.44) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL30892371 0.69 KDM1A (0.48) ALDH1A1TDP1KDM1AKDM1B

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed