SCHEMBL31056243

SCHEMBL31056243

CN(C)c1cc(Br)cc(C=O)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CCR5 P51681 3/20 0.41
MAOB P27338 5/20 0.40
MAOA P21397 3/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
ERN1 O75460 2/20 0.38
PTPN1 P18031 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL11685931 0.82 MAPT (0.68) HPGDGAAMAPTCCR5MAOB
SCHEMBL16039680 0.81 CCNB2 (0.43) HPGDGAAMAPTMAOBMAOA
SCHEMBL21596262 0.80 ALDH1A1 (0.55) HPGDGAAMAPTTHRBLMNA
SCHEMBL4055189 0.80 GAA (0.51) HPGDGAAMAPTCCR5MAOB
SCHEMBL31056430 0.77 GAA (0.43) HPGDGAAMAPTCCR5MAOB
SCHEMBL20140076 0.76 SMN1; SMN2 (0.46) HPGDGAAMAPTCCR5MAOB
SCHEMBL31056274 0.75 ERN1 (0.49) HPGDGAAMAPTMAOBMAOA
SCHEMBL20139696 0.74 MAOB (0.52) MAPTMAOBMAOAERN1CCNB2
SCHEMBL31500322 0.73 MAPT (0.50) HPGDGAAMAPTMAOBMAOA
SCHEMBL23796751 0.72 MAOB (0.57) MAOBMAOALMNAERN1CCNB2

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