SCHEMBL22201332

SCHEMBL22201332

O=c1c2ccccc2n(CCN2CCOCC2)c(=O)n1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.64
HTR7 P34969 5/20 0.61
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
POLB P06746 1/20 0.49
MAPK8 P45983 2/20 0.49
HDAC1 Q13547 1/20 0.48
MAPK9 P45984 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL22201333 0.81 MAPT (0.58) PGRTSHRSMN1; SMN2POLB
SCHEMBL8348067 0.81 GAA (0.55) GAATSHRALDH1A1SMN1; SMN2CNR2
SCHEMBL12963521 0.80 GAA (0.54) PGRGAATSHRALDH1A1SMN1; SMN2
SCHEMBL10704403 0.78 ABCB1 (0.60) GAATSHRALDH1A1SMN1; SMN2CNR2
SCHEMBL12933334 0.78 GAA (0.52) GAATSHRALDH1A1SMN1; SMN2CNR2
SCHEMBL8347798 0.78 GAA (0.52) GAATSHRALDH1A1SMN1; SMN2CNR2
SCHEMBL18028054 0.77 TSHR (0.64) HTR7TSHRALDH1A1CNR2CNR1
SCHEMBL22201345 0.75 PGR (0.72) PGRSMN1; SMN2POLBMAPK8HDAC1
SCHEMBL7651124 0.75 PGR (0.68) PGRHTR7ALDH1A1SMN1; SMN2POLB
SCHEMBL13354921 0.74 CNR2 (0.53) HTR7GAATSHRCNR2CNR1

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed