SCHEMBL7264648

SCHEMBL7264648

C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCOc1cccc(-c2cc3ccccc3o2)c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.38
MKNK1 Q9BUB5 4/20 0.37
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PAX8 Q06710 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 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
SCHEMBL7259455 0.89 BCHE (0.42) BCHEMKNK1ACHESMN1; SMN2TP53
SCHEMBL7259442 0.88 MAPT (0.42) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL7259390 0.84 RAB9A (0.38) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL7264021 0.83 FFAR1 (0.35) SMN1; SMN2NPC1RAB9A
SCHEMBL7259504 0.83 MCHR1 (0.38) SMN1; SMN2NPC1HDAC3HDAC1HDAC2
SCHEMBL7259380 0.83 SMN1; SMN2 (0.39) SMN1; SMN2TP53NPC1RAB9A
SCHEMBL7258928 0.82 SMN1; SMN2 (0.34) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL7264336 0.82 FAAH (0.34) SMN1; SMN2TP53NPC1RAB9AHDAC6
SCHEMBL7263111 0.81 HDAC8 (0.34) SMN1; SMN2RAB9AHDAC3HDAC1HDAC8
SCHEMBL7263916 0.81 REN (0.31) SMN1; SMN2RAB9A

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-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed