SCHEMBL31056261

SCHEMBL31056261

O=Cc1cc(Br)ccc1NC(=O)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.49
ABL1 P00519 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
ERN1 O75460 1/20 0.45
GPR35 Q9HC97 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL15718583 0.78 HPGD (0.64) AAK1ABL1KMT2AMEN1GAA
SCHEMBL15594368 0.78 KMT2A (0.68) AAK1ABL1KMT2AMEN1GAA
SCHEMBL31692494 0.78 HTT (0.64) ABL1KMT2AMEN1GAAMAPT
SCHEMBL26090416 0.78 ALDH1A1 (0.55) KMT2AMEN1ERN1POLBMAPT
SCHEMBL29954097 0.78 ALDH1A1 (0.54) KMT2AMEN1GAAMAPTHPGD
SCHEMBL25767955 0.77 KDM4E (0.55) AAK1ABL1KMT2AMEN1GAA
SCHEMBL24251859 0.76 KMT2A (0.54) AAK1ABL1KMT2AMEN1GAA
SCHEMBL22393793 0.76 AAK1 (0.49) AAK1ABL1KMT2AMEN1GAA
SCHEMBL13279699 0.75 ABL1 (0.47) AAK1ABL1KMT2AMEN1GAA
SCHEMBL31642971 0.75 KMT2A (0.48) AAK1ABL1KMT2AMEN1GAA

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed