SCHEMBL29638403

SCHEMBL29638403

CC(=O)Nc1cccc(-n2nc(OCOCC[Si](C)(C)C)c3cnc(Cl)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.36
PTGER1 P34995 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
POLB P06746 3/20 0.34
LMNA P02545 2/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 6/20 0.34
NPC1 O15118 3/20 0.34
FYN P06241 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL29638441 0.82 MAP3K14 (0.35) MAP3K14
SCHEMBL29638526 0.82 PLK1 (0.40) MAP3K14LMNAALDH1A1NPC1KDM4E
SCHEMBL29638355 0.81 PLK1 (0.41) MAP3K14ALDH1A1KDM4EMAPT
SCHEMBL29638422 0.80 ABHD16A (0.40) LMNAALDH1A1NPC1MAPTRAB9A
SCHEMBL29638349 0.76 PTGS2 (0.38)
SCHEMBL29638383 0.76 RARG (0.36)
SCHEMBL29638375 0.74 MAPK1 (0.32) ALDH1A1KDM4EMAPT
SCHEMBL29638363 0.72 PLK1 (0.41) MAP3K14LMNAALDH1A1KDM4EMAPT
SCHEMBL29638364 0.69 PLK1 (0.41) POLBALDH1A1NPC1RAB9AGAA
SCHEMBL3581485 0.68 KMT2A (0.42) IDO1TDO2POLBLMNAALDH1A1

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed