SCHEMBL17656535

SCHEMBL17656535

CC(=O)c1ccn([Si](C)(C)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 4/20 0.31
NPC1 O15118 3/20 0.31
KCNJ1 P48048 1/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
STING1 Q86WV6 1/20 0.30
CYP1A1 P04798 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL2235412 0.69 PKM (0.42) PKMALDH1A1CYP3A4BAZ2BKMT2A
SCHEMBL334557 0.66
SCHEMBL18258623 0.66 PKM (0.42) PKMALDH1A1CYP3A4BAZ2BKMT2A
SCHEMBL26725037 0.66 ALDH1A1 (0.41) PKMALDH1A1KMT2ARAB9AHPGD
SCHEMBL18258626 0.66 PKM (0.42) PKMALDH1A1CYP3A4BAZ2BKMT2A
SCHEMBL28311572 0.65
SCHEMBL9918671 0.65
SCHEMBL27594334 0.64 PKM (0.41) PKMALDH1A1CYP3A4BAZ2BKMT2A
SCHEMBL4583848 0.63 PTGS2 (0.40) CYP3A4BAZ2BKMT2ARAB9AKCNJ1
SCHEMBL13539050 0.62 PKM (0.42) PKMALDH1A1CYP3A4BAZ2BKMT2A

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
EP-3002283-A1 THIAZOLE DERIVATIVES Kyowa Hakko Kirin Co., Ltd. (JP) 2016-04-06 EP disclosed