SCHEMBL27664741

SCHEMBL27664741

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc(C(=O)N3CCC(O)CC3)cs2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
TRPC3 Q13507 4/20 0.41
TRPC6 Q9Y210 4/20 0.41
SPTLC2 O15270 6/20 0.39
TP53 P04637 1/20 0.38
MGLL Q99685 1/20 0.37
POLB P06746 2/20 0.37
PDE4B Q07343 1/20 0.37
LRRK2 Q5S007 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL5032534 0.92 NPC1 (0.44) HTR2CPOLB
SCHEMBL5032544 0.91 HTR2C (0.42) HTR2CTRPC3TRPC6POLBLRRK2
SCHEMBL27643397 0.91 POLB (0.44) SPTLC2POLB
SCHEMBL27643379 0.90 ALDH1A1 (0.42) HTR2CTRPC3TRPC6TP53PDE4B
SCHEMBL27664673 0.90 NPC1 (0.41) HTR2CTRPC3TRPC6SPTLC2
SCHEMBL27643378 0.89 HTR2C (0.49) HTR2C
SCHEMBL27664669 0.87 POLB (0.44) TRPC3TRPC6SPTLC2POLB
SCHEMBL5034700 0.86 RAB9A (0.38) HTR2CTRPC3TRPC6LRRK2
SCHEMBL5035129 0.85 TRPC3 (0.40) TRPC3TRPC6SPTLC2TP53POLB
SCHEMBL5032563 0.83 ALDH1A1 (0.47) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN claimed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN claimed
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed