SCHEMBL24327258

SCHEMBL24327258

CC(=O)CCC(Br)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.35
SLC15A2 Q16348 1/20 0.35
PAOX Q6QHF9 1/20 0.34
TRPA1 O75762 1/20 0.33
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 1/20 0.31
KDM1A O60341 1/20 0.31
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 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
SCHEMBL17545277 0.79 ALDH1A1 (0.36) ALDH1A1LMNAALOX15BLMPMP22
SCHEMBL17274505 0.78 GABRP (0.46) LMNABLMPMP22GABRPGABRD
SCHEMBL5798252 0.78 LCK (0.50) ALDH1A1LMNASLC15A2PAOXTRPA1
SCHEMBL971093 0.75
SCHEMBL28409342 0.74
SCHEMBL28465687 0.74 LCK (0.44) ALDH1A1CA1CA2LCKPPARD
SCHEMBL3870432 0.73 KMT2A (0.44) ALDH1A1LMNASLC15A2PAOXALOX15
SCHEMBL21026616 0.73 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2PAOXALOX15
SCHEMBL20107051 0.73 KMT2A (0.44) ALDH1A1LMNASLC15A2PAOXALOX15
SCHEMBL26139447 0.73 ZDHHC7 (0.55) ALDH1A1LMNASLC15A2TRPA1CA1

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
WO-2022068933-A1 COMPOUNDS AND METHODS OF TREATING DISEASES CULLGEN (SHANGHAI) , INC. (CN) 2022-04-07 WO disclosed