SCHEMBL31598568

SCHEMBL31598568

C=C(Br)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 1/20 0.54
POLB P06746 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL20827124 0.82 POLB (0.59) SMN1; SMN2RAB9APOLBKMT2AKDM4E
SCHEMBL30140772 0.81 GRIN2D (0.55) SMN1; SMN2RAB9APOLBKMT2AKDM4E
SCHEMBL3415036 0.81 RAB9A (0.58) SMN1; SMN2RAB9APOLBKMT2AKDM4E
SCHEMBL5535630 0.80 POLB (0.57) SMN1; SMN2RAB9APOLBKMT2AKDM4E
SCHEMBL1008398 0.78 POLB (0.63) SMN1; SMN2POLBKMT2AKDM4EMEN1
SCHEMBL2092532 0.78 POLB (0.58) SMN1; SMN2RAB9APOLBKMT2AKDM4E
SCHEMBL29958946 0.78 GRIN2D (0.60) SMN1; SMN2RAB9APOLBKMT2AKDM4E
SCHEMBL3938038 0.78 POLB (0.58) SMN1; SMN2RAB9APOLBKMT2AKDM4E
SCHEMBL167598 0.78 GRIN2D (0.60) SMN1; SMN2RAB9APOLBKMT2AKDM4E
SCHEMBL24754704 0.78 RAB9A (0.56) SMN1; SMN2RAB9APOLBKMT2AKDM4E

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-120058548-A Alpha-bromo-acrylamide compound and application thereof 陕西省生物农业研究所 2025-05-30 CN disclosed