SCHEMBL9057076

SCHEMBL9057076

CC(=O)NCc1cccc(-c2csc(C)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.70
LMNA P02545 2/20 0.58
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
HTT P42858 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.47
ABL1 P00519 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL8648939 0.87 HRH2 (0.57) PRMT6NPC1RAB9AMAPTROCK2
SCHEMBL4892800 0.82 PRMT6 (1.00) PRMT6LMNATSHRRECQLHTT
SCHEMBL8647793 0.81 ATP4A (0.65)
SCHEMBL3607745 0.80 ROCK2 (0.56) HTTNPC1RAB9AMAPTROCK2
SCHEMBL8648287 0.80 ROCK2 (0.56) HTTNPC1RAB9AMAPTROCK2
SCHEMBL3052495 0.79 PRMT6 (0.69) PRMT6LMNATSHRRECQLHTT
SCHEMBL8648948 0.79 ATP4A (0.53) PRMT6NPC1RAB9AROCK2ROCK1
SCHEMBL8648946 0.79 ATP4A (0.53) PRMT6NPC1RAB9AROCK2ROCK1
SCHEMBL27562786 0.78 PRMT6 (0.57) PRMT6LMNATSHRRECQLHTT
SCHEMBL23742621 0.78 MAPT (0.50) NPC1RAB9AMAPTROCK2ROCK1

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-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed