SCHEMBL9445941

SCHEMBL9445941

O=C(O)CNCCSCP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
BLM P54132 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD3 P35462 1/20 0.31
FOLH1 Q04609 1/20 0.31
GGH Q92820 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
SCHEMBL7721691 0.75 CYP2D6 (0.48) LMNAKMT2ATDP1BLMTSHR
SCHEMBL7721748 0.75 LMNA (0.64) LMNAKMT2ATDP1TSHRHSD17B10
SCHEMBL9445908 0.74 FOLH1 (0.42) LMNAKMT2ATDP1BLMTSHR
SCHEMBL5566705 0.74 TSHR (0.54) LMNAKMT2ATDP1BLMTSHR
SCHEMBL7720625 0.74 CYP2D6 (0.46) LMNAKMT2ATDP1BLMTSHR
Medronic Acid SCHEMBL7764860 0.73 KDM4E (0.48) LMNAKMT2ATDP1BLMTSHR
SCHEMBL2185204 0.72 TSHR (0.52) LMNAKMT2ATDP1TSHRHSD17B10
SCHEMBL1251621 0.72 LMNA (0.41) LMNAKMT2ATDP1BLMTSHR
SCHEMBL7719757 0.71 BHMT (0.49) LMNAKMT2ATDP1TSHRHSD17B10
SCHEMBL9445930 0.69 S1PR2 (0.52) LMNABLMFOLH1

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-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 US disclosed