SCHEMBL29087652

SCHEMBL29087652

CCCC=C(C#N)C(=O)O[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 2/20 0.30
PTP4A1 Q93096 1/20 0.30
MIF P14174 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
SCHEMBL29087667 0.86 CYP2C9 (0.39) CYP2C9POLBTDP1ALDH1A1MEN1
SCHEMBL27679283 0.80 CYP2C9 (0.40) CYP2C9POLBALDH1A1MEN1KMT2A
SCHEMBL17859724 0.80 CYP2C9 (0.40) CYP2C9POLBALDH1A1MEN1KMT2A
SCHEMBL22319321 0.79 CYP2C9 (0.36) CYP2C9POLBTDP1ALDH1A1MEN1
SCHEMBL8569025 0.79 CYP2C9 (0.59) CYP2C9POLBTDP1ALDH1A1MEN1
SCHEMBL15924902 0.78 KDM4E (0.34) CYP2C9POLBTDP1ALDH1A1MEN1
SCHEMBL666832 0.77 CYP2C9 (0.38) CYP2C9POLBTDP1ALDH1A1MEN1
SCHEMBL29045740 0.76 CYP2C9 (0.40) CYP2C9POLBTDP1ALDH1A1MEN1
SCHEMBL27913452 0.76 CYP2C9 (0.37) CYP2C9POLBTDP1ALDH1A1MEN1
SCHEMBL7737758 0.75 TP53 (0.45) CYP2C9POLBTDP1ALDH1A1MEN1

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
CN-116710264-A 3D printing method and system 波士胶公司 2023-09-05 CN disclosed