SCHEMBL29217221

SCHEMBL29217221

CCOC(=O)c1cnc(Cl)nc1NCCc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
PPP1CA P62136 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SYK P43405 3/20 0.46
SLC26A6 Q9BXS9 1/20 0.45
MAPT P10636 4/20 0.45
THRB P10828 1/20 0.45
SIRT5 Q9NXA8 5/20 0.44
ADORA1 P30542 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL29217145 0.84 STAT6 (0.41) KDM4ESIRT5
SCHEMBL22866255 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL29217168 0.80 MAPT (0.57) ALDH1A1KDM4ETP53NPSR1MEN1
SCHEMBL2523948 0.79 SYK (0.53) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL34462345 0.79 NPSR1 (0.65) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL11582962 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL4174181 0.78 HTT (0.54) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL22401212 0.78 MAPT (0.50) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL28684686 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL22401294 0.77 MAPT (0.49) ALDH1A1KDM4ELMNATP53NPSR1

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
CN-118084892-A Compounds useful as HPK1 inhibitors 深圳福沃药业有限公司 2024-05-28 CN disclosed