SCHEMBL27664667

SCHEMBL27664667

CC1CCCCN1C(=O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.45
TRPC6 Q9Y210 3/20 0.45
HPGD P15428 6/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL5032604 0.97 TRPC3 (0.42) TRPC3TRPC6HPGDLMNAALDH1A1
SCHEMBL5032560 0.91 HSD11B1 (0.49) TRPC3TRPC6HPGDLMNAALDH1A1
SCHEMBL5034736 0.89 HSD11B1 (0.45) TRPC3TRPC6HPGDLMNAALDH1A1
SCHEMBL5032603 0.86 LIPE (0.41) TRPC3TRPC6HPGDLMNAALDH1A1
SCHEMBL5035129 0.85 TRPC3 (0.40) TRPC3TRPC6HPGDLMNAALDH1A1
SCHEMBL5032519 0.84 DPP4 (0.42) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL5032521 0.84 DPP4 (0.42) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL5034664 0.81 KMT2A (0.47) TRPC3TRPC6HPGDLMNAALDH1A1
SCHEMBL5034842 0.80 HTR2C (0.46) TRPC3TRPC6HPGDALDH1A1NPC1
SCHEMBL5035047 0.80 HSD11B1 (0.40) TRPC3TRPC6HPGDLMNAALDH1A1

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