SCHEMBL22750807

SCHEMBL22750807

Cc1nc(NN)sc1C(=O)OCCC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.48
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 6/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
DHODH Q02127 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 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
SCHEMBL3046343 0.84 ALDH1A1 (0.70) ALDH1A1HPGDTSHRNPC1KDM4E
SCHEMBL22750819 0.80 HPGD (0.46) ALDH1A1HPGDL3MBTL1TSHRNPC1
SCHEMBL3045369 0.79 RAB9A (0.59) ALDH1A1HPGDL3MBTL1TSHRNPC1
SCHEMBL25294798 0.72 L3MBTL1 (0.68) ALDH1A1HPGDL3MBTL1TSHRNPC1
SCHEMBL22750815 0.72 ALDH1A1 (0.53) ALDH1A1HPGDTSHRNPC1KDM4E
SCHEMBL244627 0.70 ALDH1A1 (0.72) ALDH1A1HPGDTSHRNPC1KDM4E
SCHEMBL8556695 0.70 L3MBTL1 (0.73) ALDH1A1HPGDL3MBTL1TSHRNPC1
SCHEMBL20888390 0.69 ALDH1A1 (0.70) ALDH1A1HPGDTSHRNPC1KDM4E
SCHEMBL349175 0.69 ALDH1A1 (0.68) ALDH1A1HPGDTSHRNPC1KDM4E
SCHEMBL2208204 0.68 ALDH1A1 (0.72) ALDH1A1HPGDTSHRNPC1KDM4E

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-2020247819-A2 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed