SCHEMBL31554580

SCHEMBL31554580

C[Si](C)(C)CCOCn1ccc2c(Oc3ccc([N+](=O)[O-])cc3F)c(F)cnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.39
HSPB1 P04792 5/20 0.37
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNA3 P22001 1/20 0.30
KCNA5 P22460 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL31554581 1.00 S1PR4 (0.39) S1PR4HSPB1MAPTSMN1; SMN2POLB
SCHEMBL4250279 0.86 S1PR4 (0.40) S1PR4HSPB1MAPTSMN1; SMN2POLB
SCHEMBL31554477 0.84 AXL (0.33)
SCHEMBL20587908 0.82 S1PR4 (0.32) S1PR4
SCHEMBL29822015 0.82 S1PR4 (0.32) S1PR4
SCHEMBL31236698 0.78 S1PR4 (0.40) S1PR4HSPB1MAPTSMN1; SMN2POLB
SCHEMBL2881855 0.77 S1PR4 (0.35) S1PR4MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL2882599 0.76 CYP19A1 (0.33) S1PR4
SCHEMBL20589057 0.76 CYP1A2 (0.44) S1PR4POLBALDH1A1MAPK1MEN1
SCHEMBL20588180 0.74 ALOX5AP (0.30) S1PR4

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-2025096463-A1 PLK4 MODULATORS VIBLIOME THERAPEUTICS, LLC (US) 2025-05-08 WO disclosed