SCHEMBL18746292

SCHEMBL18746292

NC(=S)N/N=C/c1cccc(Cl)c1O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.72
KDM4E B2RXH2 4/20 0.72
GAA P10253 4/20 0.72
MAPT P10636 2/20 0.72
LMNA P02545 1/20 0.72
MPI P34949 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
MAOB P27338 1/20 0.56
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
GUSB P08236 1/20 0.51
CD38 P28907 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL3691050 0.85 KDM4E (0.68) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL3691048 0.85 KDM4E (0.68) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL18746290 0.84 L3MBTL1 (1.00) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL18746291 0.81 MAOB (0.74) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL18746293 0.81 GAA (0.72) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL21519432 0.80 POLB (0.66) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL21519523 0.80 POLB (0.66) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL3084339 0.79 GAA (0.79) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL3084344 0.79 GAA (0.79) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL29128745 0.78 L3MBTL1 (0.60) L3MBTL1KDM4EGAAMAPTLMNA

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-9622993-B2 Thiosemicarbazones inhibitors of lysophosphatidic acid acyltransferase and uses thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-18 US disclosed