SCHEMBL6829172

SCHEMBL6829172

Cn1ccnc1[Si](C)(C)C.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.46
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FDPS P14324 2/20 0.32
BRD4 O60885 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL6345915 0.97 LPO (0.48) LPOALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8089840 0.75 LPO (0.41) LPOALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8084747 0.75 LPO (0.41) LPOALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8089847 0.75 LPO (0.41) LPOALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5722623 0.75 LPO (0.41) LPOALDH1A1HPGDHSD17B10KMT2A
SCHEMBL27769632 0.71 LPO (0.43) LPOKMT2AHTTKDM4EFDPS
SCHEMBL8076693 0.71 LPO (0.43) LPOALDH1A1HSD17B10KMT2AHTT
SCHEMBL8076701 0.70 LPO (0.38) LPOHTTKDM4EFDPSBRD4
SCHEMBL8088201 0.69 LPO (0.36) LPOALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL27792290 0.67 LPO (0.39) LPOALDH1A1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004037816-A1 BENZOFURAN COMPOUNDS HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-06 WO disclosed