SCHEMBL28024741

SCHEMBL28024741

[O-][n+]1cccc(N2CCOCC2Br)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PIK3C3 Q8NEB9 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
SCHEMBL137068 0.78 LMNA (0.47) KDM4ELMNAALDH1A1PIK3C3
SCHEMBL2082554 0.73 LMNA (0.55) KDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL29199444 0.72 LMNA (0.53) KDM4ELMNAALDH1A1
SCHEMBL28025174 0.71 CHRNB2 (0.41) PIK3C3
SCHEMBL28024733 0.64 POLB (0.35) KDM4ELMNAALDH1A1
SCHEMBL2082574 0.63 CHKA (0.43) KDM4ELMNAALDH1A1
SCHEMBL28025203 0.63 ATR (0.35) KDM4EALDH1A1PIK3C3
SCHEMBL17292797 0.63 PIK3C3 (0.32) PIK3C3
SCHEMBL18110383 0.62 NR3C2 (0.33) LMNA
SCHEMBL30206003 0.61 AKR1C3 (0.46) HTR3AKDM4ELMNAALDH1A1

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
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed