SCHEMBL8906256

SCHEMBL8906256

[CH2]CCCSC1=NCCS1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 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
SCHEMBL8905042 0.88
SCHEMBL16411240 0.77 SMN1; SMN2 (0.43) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL6244223 0.74 LMNA (0.39) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL11597023 0.68 ALDH1A1 (0.37) LMNAHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL6965410 0.66
SCHEMBL11819355 0.66 ALDH1A1 (0.38) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL10037471 0.63 LMNA (0.43) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL1260724 0.61
SCHEMBL16573237 0.60 LMNA (0.41) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL13508174 0.60

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