SCHEMBL6421850

SCHEMBL6421850

CC(C)(C)OC(=O)N1CCN2c3ccccc3[S+]([O-])CC2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
SCN9A Q15858 1/20 0.41
USP30 Q70CQ3 5/20 0.41
GPR119 Q8TDV5 5/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HDAC6 Q9UBN7 1/20 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
SCHEMBL24187402 0.79 SIGMAR1 (0.65) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL6423389 0.75 BCHE (0.46) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL2016857 0.74 MAPK1 (0.53) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL6422038 0.74 SIGMAR1 (0.46) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL24187416 0.74 SCN9A (0.49) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL1350836 0.73 SIGMAR1 (0.45) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL1351241 0.73 SIGMAR1 (0.50) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL2013375 0.73 SIGMAR1 (0.45) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL24187263 0.73 STS (0.46) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL3940077 0.71 USP30 (0.49) SIGMAR1USP30GPR119JAK2JAK1

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-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed