SCHEMBL29638422

SCHEMBL29638422

C[Si](C)(C)CCOCOc1nn(-c2cccc([N+](=O)[O-])c2)c2cc(Cl)ncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 1/20 0.40
MAPT P10636 5/20 0.38
LMNA P02545 2/20 0.38
CNR2 P34972 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
PDE4A P27815 1/20 0.35

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 0.84 MAP3K14 (0.35) CNR2CNR1ACHE
SCHEMBL29638526 0.84 PLK1 (0.40) MAPTLMNARAB9AHPGDMEN1
SCHEMBL29638355 0.82 PLK1 (0.41) MAPTALDH1A1HTT
SCHEMBL29638403 0.80 MAP3K14 (0.36) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL29638349 0.79 PTGS2 (0.38)
SCHEMBL29638383 0.77 RARG (0.36)
SCHEMBL29638375 0.75 MAPK1 (0.32) MAPTALDH1A1
SCHEMBL29638380 0.67 PIK3CD (0.39) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL15508874 0.67 RAB9A (0.55) MAPTLMNARAB9AHPGDMEN1
SCHEMBL27247652 0.67 RAB9A (0.44) MAPTLMNARAB9AHPGDMEN1

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