SCHEMBL25903504

SCHEMBL25903504

CC(C)CCOc1cnc(C(C)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.42
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
KMT2A Q03164 3/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
GALR3 O60755 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL26029082 0.86 TDP1 (0.43) TDP1MAPK1EPHX2HTTGAA
SCHEMBL16996966 0.85 TDP1 (0.48) TDP1MAPK1EPHX2HTTGAA
SCHEMBL25903398 0.84 MAPK1 (0.32) TDP1MAPK1EPHX2
SCHEMBL26022242 0.84 TDP1 (0.42) TDP1MAPK1EPHX2HTTGAA
SCHEMBL25313638 0.81 APLNR (0.33) SMN1; SMN2
SCHEMBL25903400 0.81 LTA4H (0.42) KMT2ASMN1; SMN2MAPTCYP19A1HSD17B10
SCHEMBL25903505 0.79 TDP1 (0.43) TDP1MAPK1EPHX2HTTGAA
SCHEMBL25903640 0.79 CHRNB2 (0.46) MAPT
SCHEMBL16997128 0.79 TDP1 (0.50) TDP1MAPK1EPHX2HTTGAA
SCHEMBL26022239 0.78 TDP1 (0.46) TDP1MAPK1EPHX2HTTGAA

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-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed