SCHEMBL9753446

SCHEMBL9753446

CCOC(=O)[C@H]1CC[C@@H](N)C[C@@H]1CCCc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 2/20 0.36

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
SCHEMBL6942075 0.77 SMYD3 (0.40) ALDH1A1SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL6942077 0.77 SMYD3 (0.40) ALDH1A1SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL9753431 0.77 ALDH1A1 (0.43) MEN1KMT2AALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL9752856 0.76 PKM (0.44) MEN1KMT2AALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL28748271 0.76 SMYD3 (0.39) ALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL9752801 0.74 SMYD3 (0.37) ALDH1A1KDM4EPOLBTSHRL3MBTL1
SCHEMBL9753054 0.74 SMYD3 (0.37) ALDH1A1POLBTSHRL3MBTL1
Hydrochloric Acid SCHEMBL9753080 0.73 SMYD3 (0.36) ALDH1A1POLBTSHRL3MBTL1
SCHEMBL6643050 0.70 SMN1; SMN2 (0.63) HSD17B10MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6335581 0.69 SMN1; SMN2 (0.66) HSD17B10MEN1KMT2AALDH1A1SMN1; SMN2

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-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed