SCHEMBL31130141

SCHEMBL31130141

CCOc1ccccc1NN

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALDH1A1 P00352 6/20 0.55
LMNA P02545 1/20 0.51
MCL1 Q07820 1/20 0.51
KMT2A Q03164 3/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK10 P53779 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
EGFR P00533 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 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
SCHEMBL1994661 1.00 GAA (0.56) GAAALDH1A1LMNAMCL1KMT2A
Hydrochloric Acid SCHEMBL1457429 0.98 GAA (0.54) GAAALDH1A1LMNAMCL1KMT2A
SCHEMBL11521594 0.83 MAPK10 (0.62) GAAALDH1A1KMT2ACYP2C19MAPK10
SCHEMBL1639715 0.83 GAA (0.59) GAAALDH1A1LMNAMCL1KMT2A
SCHEMBL11410717 0.82 ALDH1A1 (0.46) GAAALDH1A1LMNAMCL1KMT2A
SCHEMBL947416 0.81 GAA (0.58) GAAALDH1A1LMNAMCL1KMT2A
SCHEMBL147183 0.79 GAA (0.56) GAAALDH1A1LMNAMCL1KMT2A
SCHEMBL20508889 0.79 GAA (0.56) GAAALDH1A1LMNAMCL1KMT2A
SCHEMBL27685405 0.79 GAA (0.61) GAAALDH1A1LMNAMCL1KMT2A
SCHEMBL27693894 0.79 GAA (0.56) GAAALDH1A1LMNAMCL1KMT2A

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
EP-4442318-A2 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2024-10-09 EP disclosed