SCHEMBL11224432

SCHEMBL11224432

CCc1nc(NC(=O)C(=O)NCCN(C(C)C)C(C)C)sc1CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 4/20 0.35
MAPT P10636 4/20 0.34
BCHE P06276 1/20 0.34
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ABL1 P00519 1/20 0.31
TP53 P04637 1/20 0.31
GRIN2B Q13224 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL11225698 0.72 MAPT (0.43) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL13298011 0.72 ACHE (0.44) ALDH1A1KDM4EACHEBCHEGAA
SCHEMBL13298030 0.63 ALDH1A1 (0.44) ALDH1A1KDM4EACHEBCHESMN1; SMN2
SCHEMBL5258391 0.62 ACHE (0.42) ALDH1A1KDM4EACHEBCHESIGMAR1
SCHEMBL4820203 0.61 ACHE (0.39) ALDH1A1KDM4EACHEBCHESIGMAR1
SCHEMBL11227402 0.61 MAPT (0.46) ALDH1A1MAPTGAASMN1; SMN2HPGD
SCHEMBL10288810 0.61 MEN1 (0.52) ALDH1A1ACHEBCHESIGMAR1KDM5B
SCHEMBL11223840 0.60 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL10986805 0.60 MEN1 (0.34) ALDH1A1KDM4EMAPTGAA
SCHEMBL25230992 0.60 SIGMAR1 (0.46) ALDH1A1KDM4EACHEBCHESIGMAR1

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
US-4321372-A Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides PFIZER INC. (US) 1982-03-23 US disclosed