SCHEMBL6986106

SCHEMBL6986106

Cc1ncc(CC(N)=S)n1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
PGGT1B P53609 1/20 0.47
GRIN2B Q13224 10/20 0.46
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 3/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6929325 0.75 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AFNTA
SCHEMBL3599930 0.73 SMN1; SMN2 (0.80) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL948076 0.72 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9AFNTA
SCHEMBL8549475 0.71 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6997163 0.71 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL27694059 0.71 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL2712105 0.70 SMN1; SMN2 (1.00) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL1259833 0.70 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL4760522 0.70 SMN1; SMN2 (0.74) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL618472 0.70 SMN1; SMN2 (0.74) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045846-B1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2003-05-02 EP disclosed
EP-1045846-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 2000-10-25 EP disclosed
WO-1999028315-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1999-06-10 WO disclosed