SCHEMBL22789293

SCHEMBL22789293

CCc1cc(CC)c(NC)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 3/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
GRIN2C Q14957 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL6901097 0.70 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10SMN1; SMN2GAA
SCHEMBL11343217 0.70 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHSD17B10KMT2A
SCHEMBL11888024 0.70 HPGD (0.44) ALDH1A1MAPTLMNAL3MBTL1KDM4E
SCHEMBL22774477 0.69 GRIN2C (0.41) ALDH1A1MAPTKDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL22774982 0.67 GAA (0.49) ALDH1A1MAPTLMNAKDM4EHSD17B10
SCHEMBL6902092 0.65 GRIN2C (0.35) ALDH1A1HSD17B10SMN1; SMN2GAACYP1A2
SCHEMBL15107088 0.65 MAPK1 (0.35) ALDH1A1LMNAHSD17B10HPGDKMT2A
SCHEMBL3784658 0.64 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHSD17B10GAA
SCHEMBL9980122 0.63 MAPK1 (0.42) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL22774673 0.61 GABRA1 (0.41) ALDH1A1GAACYP1A2CYP2C9MAPK1

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-2020249664-A1 SULFONYLUREA DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-12-17 WO disclosed