SCHEMBL30019224

SCHEMBL30019224

CN1CCN(c2ccc(N)cc2OCCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
KDM4E B2RXH2 4/20 0.52
RAD52 P43351 2/20 0.52
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 5/20 0.45
ADRA2C P18825 3/20 0.45
KMT2A Q03164 3/20 0.45
PTK2B Q14289 3/20 0.45
GFER P55789 2/20 0.45
ESR2 Q92731 1/20 0.45
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
WDR5 P61964 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 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
SCHEMBL30879147 0.87 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL14320302 0.84 MAPT (0.55) MAPTKDM4EALDH1A1L3MBTL1GAA
SCHEMBL25565665 0.84 MAPT (0.56) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30879012 0.84 MAPT (0.50) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL27038804 0.82 EML4 (0.42) MAPTKDM4ERAD52PTK2BDRD3
SCHEMBL23567036 0.82 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30736195 0.82 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30879257 0.82 HRH4 (0.49) MAPTKDM4ERAD52ADRA2CDRD2
SCHEMBL30879277 0.81 NFE2L2 (0.50) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL18428709 0.81 MAPT (0.52) MAPTKDM4ERAD52ALDH1A1L3MBTL1

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-2022226290-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-10-27 WO disclosed