SCHEMBL17375231

SCHEMBL17375231

CC(C)(C)[Si](C)(C)OCCC(N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ANPEP P15144 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SCN4A P35499 2/20 0.40
CYP2D6 P10635 1/20 0.39
TACR1 P25103 1/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL5788640 0.84 EPHX1 (0.50) EPHX1ANPEPSIGMAR1SLC6A2TAAR1
SCHEMBL15539656 0.81 TRPA1 (0.38) SIGMAR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL15540392 0.81 TRPA1 (0.38) SIGMAR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL20285039 0.80 GRIN2D (0.43) TAAR1
SCHEMBL28580311 0.80 GRIN2D (0.43) TAAR1
SCHEMBL6504637 0.80 SCN4A (0.40) SCN4ATACR1
SCHEMBL12487435 0.80 SCN4A (0.40) SCN4ATACR1
SCHEMBL6504640 0.80 SCN4A (0.40) SCN4ATACR1
SCHEMBL6993568 0.78 ANPEP (0.36) ANPEP
SCHEMBL16727131 0.77 IDO1 (0.41) EPHX1TACR1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160966-A1 MNK INHIBITORS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2017-05-03 EP disclosed
WO-2015200481-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. (US) 2015-12-30 WO disclosed