SCHEMBL20028441

SCHEMBL20028441

CCOC(=O)c1nn(COCC[Si](C)(C)C)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
F2RL3 Q96RI0 1/20 0.43
HSD17B10 Q99714 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL22897082 0.88 ALDH1A1 (0.44) NPC1RAB9AHSD17B10MAPTALDH1A1
SCHEMBL20028437 0.87 NPC1 (0.37) TARBP2NPC1RAB9AHSD17B10MAPT
SCHEMBL1739352 0.83 ALDH1A1 (0.55) TARBP2NPC1RAB9AGABRA2GABRB2
SCHEMBL22897239 0.82 MAPK1 (0.52) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL24537117 0.82 ALDH1A1 (0.40) TARBP2NPC1RAB9AMAPTALDH1A1
SCHEMBL15726277 0.80 NPC1 (0.37) TARBP2NPC1RAB9AMAPTALDH1A1
SCHEMBL26964472 0.80 ADORA3 (0.41) NPC1RAB9AHSD17B10MAPTALDH1A1
SCHEMBL16559309 0.79 ALDH1A1 (0.40) TARBP2NPC1RAB9AHSD17B10MAPT
SCHEMBL19330006 0.78 DGAT1 (0.45) NPC1RAB9AGABRA2GABRB2HSD17B10
SCHEMBL824832 0.78 NPC1 (0.36) TARBP2NPC1RAB9AGABRA2GABRB2

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-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed