SCHEMBL9570904

SCHEMBL9570904

CCc1nc(NC(C)=O)sc1C(O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DYRK1A Q13627 6/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA1 P30542 1/20 0.37
PIK3CG P48736 2/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL9570922 0.89 ALDH1A1 (0.39) ALDH1A1HPGDL3MBTL1DYRK1AKMT2A
SCHEMBL25865063 0.83 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1DYRK1AKMT2A
SCHEMBL9570867 0.80 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1DYRK1ACYP1A2
SCHEMBL9570975 0.74 ALDH1A1 (0.50) ALDH1A1HPGDDYRK1AKMT2AMEN1
SCHEMBL25865064 0.71 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1DYRK1ACYP1A2
SCHEMBL9570921 0.71 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AMEN1CYP1A2
SCHEMBL25865286 0.70 MEN1 (0.36) ALDH1A1HPGDL3MBTL1KMT2AMEN1
SCHEMBL25372929 0.68 L3MBTL1 (0.42) ALDH1A1HPGDL3MBTL1DYRK1AKMT2A
SCHEMBL27459155 0.66 DYRK1A (0.43) ALDH1A1HPGDL3MBTL1DYRK1AKMT2A
SCHEMBL1841799 0.66 L3MBTL1 (0.46) ALDH1A1HPGDL3MBTL1DYRK1ACYP1A2

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-0574118-A1 Polycyclic dyes ZENECA LIMITED (GB) 1993-12-15 EP disclosed