SCHEMBL27034876

SCHEMBL27034876

OC1CN(c2ccccc2Cl)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
ADRB1 P08588 1/20 0.52
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
HTR1A P08908 3/20 0.44
AKR1C3 P42330 1/20 0.44
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
ALOX5 P09917 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9367057 0.83 NOTUM (0.55) NOTUMADRB1KDM4EALDH1A1LMNA
SCHEMBL4538317 0.82 NOTUM (0.57) NOTUMADRB1KDM4EALDH1A1PLA2G1B
SCHEMBL28396664 0.77 ADRB1 (0.71) ADRB1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL3957609 0.75 KEAP1 (0.53) KDM4EALDH1A1RAB9ALMNAHTT
SCHEMBL14704616 0.75 ADRB1 (0.56) NOTUMADRB1KDM4EALDH1A1PLA2G1B
SCHEMBL23291707 0.73 GAA (0.39) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL30787766 0.73 NOTUM (0.39) NOTUMADRB1HTR1ADRD2DRD4
SCHEMBL22584622 0.73 NOTUM (0.39) NOTUMADRB1HTR1ADRD2DRD4
SCHEMBL1825806 0.73 ADRB1 (0.65) ADRB1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL30407939 0.73 ADRB1 (0.65) ADRB1KDM4EALDH1A1PLA2G1BRAB9A

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-2024017178-A1 SUBSTITUTED HYDANTOIN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS AVITAR BIOSCIENCES, INC. (CN) 2024-01-25 WO disclosed