SCHEMBL6422038

SCHEMBL6422038

CC(C)(C)OC(=O)N1CCN2c3ccccc3S(=O)(=O)CC2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
PIK3CD O00329 3/20 0.43
PIK3R2 O00459 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
PIK3R5 Q8WYR1 3/20 0.43
PIK3R3 Q92569 3/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
SCN9A Q15858 1/20 0.42
USP30 Q70CQ3 3/20 0.41
GPR119 Q8TDV5 1/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
RORC P51449 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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 0.80 SIGMAR1 (0.65) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL6423389 0.76 BCHE (0.46) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL2016857 0.75 MAPK1 (0.53) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL24187416 0.74 SCN9A (0.49) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL1350836 0.74 SIGMAR1 (0.45) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL1351241 0.74 SIGMAR1 (0.50) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL2013375 0.74 SIGMAR1 (0.45) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL6421850 0.74 SIGMAR1 (0.43) SIGMAR1SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL30658100 0.74 MEN1 (0.42) GPR119HDAC6
SCHEMBL24675336 0.74 MEN1 (0.42) GPR119HDAC6

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