SCHEMBL22201585

SCHEMBL22201585

Nc1ccc2nc(C3CC3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 10/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
GAA P10253 5/20 0.51
KDM4E B2RXH2 4/20 0.51
GLA P06280 4/20 0.51
KEAP1 Q14145 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 2/20 0.49
HPGD P15428 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
GFER P55789 1/20 0.48
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
PTBP1 P26599 1/20 0.47

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
SCHEMBL31703846 0.87 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL16112694 0.79 RAB9A (0.50) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL1743131 0.78 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1743128 0.78 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1746197 0.78 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL30317989 0.76 CYP1A2 (0.58) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL28991026 0.76 CYP1A2 (0.58) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL3851706 0.75 SMN1; SMN2 (0.43) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL8304295 0.75 SMN1; SMN2 (0.43) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL25113833 0.74 LMNA (0.56) SMN1; SMN2MAPTNPC1RAB9AGAA

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