SCHEMBL8906298

SCHEMBL8906298

[O]CCCCSC1=NCCS1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8906193 0.94 LMNA (0.44) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL3289898 0.81 SMN1; SMN2 (0.44) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL8906308 0.81 LMNA (0.42) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL16411240 0.79 SMN1; SMN2 (0.43) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL3296119 0.78 SMN1; SMN2 (0.46) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL8907250 0.77
SCHEMBL13467062 0.77 HPGD (0.47) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL3289759 0.74
SCHEMBL11215433 0.74
Hydrochloric Acid SCHEMBL9169624 0.72 LMNA (0.41) LMNAHPGDALDH1A1MAPTGFER

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed